1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane

C63H109N5O13P6 — CID 160928900

IUPAC1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane
SMILESC=C(C)PP.CCCCCCCCCCCCN.NCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O.O=C1C=CC(=O)O1.O=C1CC(C=C(CC2CC(=O)OC2=O)PP)C(=O)O1
InChIInChI=1S/C33H60N4O4P2.C12H27N.C11H12O6P2.C4H2O3.C3H8P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35;1-2-3-4-5-6-7-8-9-10-11-12-13;12-8-3-5(10(14)16-8)1-7(19-18)2-6-4-9(13)17-11(6)15;5-3-1-2-4(6)7-3;1-3(2)5-4/h23,27-28,43H,1-22,24-26,34-35,42H2;2-13H2,1H3;1,5-6,19H,2-4,18H2;1-2H;5H,1,4H2,2H3
InChIKeySSZPPZHYHKAILT-UHFFFAOYSA-N
MW1330.43 g/mol
LogP12.81
Rot. Bonds41

About 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane

1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane (PubChem CID 160928900) has the molecular formula C63H109N5O13P6 and a molecular weight of 1330.43 g/mol. Its IUPAC name is 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane.

Molecular Properties

Compound Name1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane
PubChem CID160928900
Molecular FormulaC63H109N5O13P6
Molecular Weight1330.43 g/mol
Exact Mass1329.64
IUPAC Name1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane
SMILESC=C(C)PP.CCCCCCCCCCCCN.NCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O.O=C1C=CC(=O)O1.O=C1CC(C=C(CC2CC(=O)OC2=O)PP)C(=O)O1
InChIInChI=1S/C33H60N4O4P2.C12H27N.C11H12O6P2.C4H2O3.C3H8P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35;1-2-3-4-5-6-7-8-9-10-11-12-13;12-8-3-5(10(14)16-8)1-7(19-18)2-6-4-9(13)17-11(6)15;5-3-1-2-4(6)7-3;1-3(2)5-4/h23,27-28,43H,1-22,24-26,34-35,42H2;2-13H2,1H3;1,5-6,19H,2-4,18H2;1-2H;5H,1,4H2,2H3
InChIKeySSZPPZHYHKAILT-UHFFFAOYSA-N
XLogP12.81
TPSA282.93 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds41
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.43
LogP ≤ 512.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane?
The IUPAC name of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane (CID 160928900) is 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane.
What is the SMILES notation for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane?
The canonical SMILES for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane is C=C(C)PP.CCCCCCCCCCCCN.NCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O.O=C1C=CC(=O)O1.O=C1CC(C=C(CC2CC(=O)OC2=O)PP)C(=O)O1.
What is the InChIKey of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane?
The InChIKey is SSZPPZHYHKAILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O4P2.C12H27N.C11H12O6P2.C4H2O3.C3H8P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35;1-2-3-4-5-6-7-8-9-10-11-12-13;12-8-3-5(10(14)16-8)1-7(19-18)2-6-4-9(13)17-11(6)15;5-3-1-2-4(6)7-3;1-3(2)5-4/h23,27-28,43H,1-22,24-26,34-35,42H2;2-13H2,1H3;1,5-6,19H,2-4,18H2;1-2H;5H,1,4H2,2H3.
What are the key properties of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane?
1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane has a molecular weight of 1330.43 g/mol, XLogP of 12.81, 41 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane is sourced from PubChem (CID 160928900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).