N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide

C16H22N2O3 — CID 155357734

IUPACN-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide
SMILESC=C/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC
InChIInChI=1S/C16H22N2O3/c1-4-6-13-10-18(16(21)14(13)7-5-2)12(3)8-9-15(20)17-11-19/h4,6-7,11-12H,1,5,8-10H2,2-3H3,(H,17,19,20)/b13-6-,14-7+
InChIKeyVMMXGJKNZFFPEU-SBLPDQQFSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds7

About N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide

N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide (PubChem CID 155357734) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide
PubChem CID155357734
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide
SMILESC=C/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC
InChIInChI=1S/C16H22N2O3/c1-4-6-13-10-18(16(21)14(13)7-5-2)12(3)8-9-15(20)17-11-19/h4,6-7,11-12H,1,5,8-10H2,2-3H3,(H,17,19,20)/b13-6-,14-7+
InChIKeyVMMXGJKNZFFPEU-SBLPDQQFSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide?
The IUPAC name of N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide (CID 155357734) is N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide?
The canonical SMILES for N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide is C=C/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC.
What is the InChIKey of N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide?
The InChIKey is VMMXGJKNZFFPEU-SBLPDQQFSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-6-13-10-18(16(21)14(13)7-5-2)12(3)8-9-15(20)17-11-19/h4,6-7,11-12H,1,5,8-10H2,2-3H3,(H,17,19,20)/b13-6-,14-7+.
What are the key properties of N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide?
N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide has a molecular weight of 290.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[(3E,4E)-2-oxo-4-prop-2-enylidene-3-propylidenepyrrolidin-1-yl]pentanamide is sourced from PubChem (CID 155357734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).