N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide

C15H24N2O2 — CID 45195973

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-2-6-14(18)16-13-9-15(19)17(11-13)10-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,18)
InChIKeyUJJZWMNXWHOCSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide (PubChem CID 45195973) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
PubChem CID45195973
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-2-6-14(18)16-13-9-15(19)17(11-13)10-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,18)
InChIKeyUJJZWMNXWHOCSU-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
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

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 26391777
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45245521
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 45236575
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45251623
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45215715
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 56886408
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide (CID 45195973) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide is C=CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide?
The InChIKey is UJJZWMNXWHOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-6-14(18)16-13-9-15(19)17(11-13)10-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,18).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide has a molecular weight of 264.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide is sourced from PubChem (CID 45195973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).