methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane

C43H69N3O5 — CID 160904002

IUPACmethane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane
SMILESC.C.C.C.C.C.C=C1CCC(=O)N1c1ccccc1.CCC.CCC.O=C1CCC(=O)N1c1ccccc1.O=C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO.2C10H9NO2.2C3H8.6CH4/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10;2*12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-3-2;;;;;;/h2-6H,1,7-8H2;2*1-5H,6-7H2;2*3H2,1-2H3;6*1H4
InChIKeySPWPRHAFRMGORV-UHFFFAOYSA-N
MW708.04 g/mol
LogP11.66
Rot. Bonds3

About methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane

methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane (PubChem CID 160904002) has the molecular formula C43H69N3O5 and a molecular weight of 708.04 g/mol. Its IUPAC name is methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane.

Molecular Properties

Compound Namemethane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane
PubChem CID160904002
Molecular FormulaC43H69N3O5
Molecular Weight708.04 g/mol
Exact Mass707.52
IUPAC Namemethane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane
SMILESC.C.C.C.C.C.C=C1CCC(=O)N1c1ccccc1.CCC.CCC.O=C1CCC(=O)N1c1ccccc1.O=C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO.2C10H9NO2.2C3H8.6CH4/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10;2*12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-3-2;;;;;;/h2-6H,1,7-8H2;2*1-5H,6-7H2;2*3H2,1-2H3;6*1H4
InChIKeySPWPRHAFRMGORV-UHFFFAOYSA-N
XLogP11.66
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.04
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
CID 61351324
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
CID 86007411
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
CID 106913640
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
CID 2852422
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361

Frequently Asked Questions

What is the IUPAC name of methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane?
The IUPAC name of methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane (CID 160904002) is methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane.
What is the SMILES notation for methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane?
The canonical SMILES for methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane is C.C.C.C.C.C.C=C1CCC(=O)N1c1ccccc1.CCC.CCC.O=C1CCC(=O)N1c1ccccc1.O=C1CCC(=O)N1c1ccccc1.
What is the InChIKey of methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane?
The InChIKey is SPWPRHAFRMGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.2C10H9NO2.2C3H8.6CH4/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10;2*12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-3-2;;;;;;/h2-6H,1,7-8H2;2*1-5H,6-7H2;2*3H2,1-2H3;6*1H4.
What are the key properties of methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane?
methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane has a molecular weight of 708.04 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methylidene-1-phenylpyrrolidin-2-one;bis(1-phenylpyrrolidine-2,5-dione);propane is sourced from PubChem (CID 160904002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).