prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate

C17H24N2O5 — CID 91721520

IUPACprop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESC=CCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C17H24N2O5/c1-3-11-23-16(21)14-8-6-9-18(14)15(20)13-7-5-10-19(13)17(22)24-12-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyOJXIHCOGYIUSQU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.49
Rot. Bonds6

About prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate

prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 91721520) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID91721520
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nameprop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESC=CCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C17H24N2O5/c1-3-11-23-16(21)14-8-6-9-18(14)15(20)13-7-5-10-19(13)17(22)24-12-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyOJXIHCOGYIUSQU-UHFFFAOYSA-N
XLogP1.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate (CID 91721520) is prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate is C=CCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is OJXIHCOGYIUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-11-23-16(21)14-8-6-9-18(14)15(20)13-7-5-10-19(13)17(22)24-12-4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-(1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91721520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).