2-(2-oxopyrrolidin-1-yl)pent-4-enamide

C9H14N2O2 — CID 70440707

IUPAC2-(2-oxopyrrolidin-1-yl)pent-4-enamide
SMILESC=CCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-7(9(10)13)11-6-3-5-8(11)12/h2,7H,1,3-6H2,(H2,10,13)
InChIKeyHTBIUZIPCJYPDV-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.04
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)pent-4-enamide

2-(2-oxopyrrolidin-1-yl)pent-4-enamide (PubChem CID 70440707) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)pent-4-enamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)pent-4-enamide
PubChem CID70440707
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-oxopyrrolidin-1-yl)pent-4-enamide
SMILESC=CCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-7(9(10)13)11-6-3-5-8(11)12/h2,7H,1,3-6H2,(H2,10,13)
InChIKeyHTBIUZIPCJYPDV-UHFFFAOYSA-N
XLogP0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
CID 70622201
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
CID 161254420
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 67572682
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)pent-4-enamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)pent-4-enamide (CID 70440707) is 2-(2-oxopyrrolidin-1-yl)pent-4-enamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)pent-4-enamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)pent-4-enamide is C=CCC(C(N)=O)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)pent-4-enamide?
The InChIKey is HTBIUZIPCJYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-4-7(9(10)13)11-6-3-5-8(11)12/h2,7H,1,3-6H2,(H2,10,13).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)pent-4-enamide?
2-(2-oxopyrrolidin-1-yl)pent-4-enamide has a molecular weight of 182.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)pent-4-enamide is sourced from PubChem (CID 70440707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).