N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide

C12H18N2O2 — CID 71789181

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide
SMILESC=CCCC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-11(15)13-9-7-12(16)14(8-9)10-5-6-10/h2,9-10H,1,3-8H2,(H,13,15)
InChIKeyGXFBXEWRBSYHFX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds5

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide (PubChem CID 71789181) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide
PubChem CID71789181
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide
SMILESC=CCCC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-11(15)13-9-7-12(16)14(8-9)10-5-6-10/h2,9-10H,1,3-8H2,(H,13,15)
InChIKeyGXFBXEWRBSYHFX-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
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

1-[(3R)-3-aminopyrrolidin-1-yl]pent-4-en-1-one
CID 81469778
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-3-butenamide
CID 45182538
1-(3-Aminohex-5-enyl)pyrrolidin-2-one
CID 67922778
2-(2-Oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
2-Amino-1-pyrrolidin-1-ylpent-4-en-1-one
CID 81772417
N-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pent-4-enamide
CID 132273512
1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one
CID 143353489
(2S)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]but-3-enamide
CID 156328365
(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872193
(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872314
2-Amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride
CID 169096789
(2S)-2-amino-N-pent-4-enylbutanediamide
CID 16101033

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide (CID 71789181) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide is C=CCCC(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide?
The InChIKey is GXFBXEWRBSYHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-11(15)13-9-7-12(16)14(8-9)10-5-6-10/h2,9-10H,1,3-8H2,(H,13,15).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide has a molecular weight of 222.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide is sourced from PubChem (CID 71789181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).