(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide

C13H22N2O2 — CID 47025991

IUPAC(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H22N2O2/c1-3-6-11(2)13(17)14-8-5-10-15-9-4-7-12(15)16/h6H,3-5,7-10H2,1-2H3,(H,14,17)/b11-6-
InChIKeyDBNOJVBDEHNFBS-WDZFZDKYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds6

About (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide

(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide (PubChem CID 47025991) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
PubChem CID47025991
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H22N2O2/c1-3-6-11(2)13(17)14-8-5-10-15-9-4-7-12(15)16/h6H,3-5,7-10H2,1-2H3,(H,14,17)/b11-6-
InChIKeyDBNOJVBDEHNFBS-WDZFZDKYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 98444091
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(Z)-2-cyano-3-(3-methoxypropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815372
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide (CID 47025991) is (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide is CC/C=C(/C)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide?
The InChIKey is DBNOJVBDEHNFBS-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-11(2)13(17)14-8-5-10-15-9-4-7-12(15)16/h6H,3-5,7-10H2,1-2H3,(H,14,17)/b11-6-.
What are the key properties of (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide?
(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide is sourced from PubChem (CID 47025991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).