N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide

C14H20N2O2 — CID 71789244

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)C1CC=CCC1
InChIInChI=1S/C14H20N2O2/c17-13-8-11(9-16(13)12-6-7-12)15-14(18)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2,(H,15,18)
InChIKeyZTFDKIGUDOUVCL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 71789244) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID71789244
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)C1CC=CCC1
InChIInChI=1S/C14H20N2O2/c17-13-8-11(9-16(13)12-6-7-12)15-14(18)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2,(H,15,18)
InChIKeyZTFDKIGUDOUVCL-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
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

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(2S)-2-amino-4-(cyclohex-3-en-1-ylmethylamino)-1-(3-fluoropyrrolidin-1-yl)butan-1-one
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CID 135003571
N-[(3aS,7aS)-2-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 135080668
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-3-butenamide
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[1-[(1R,6R)-6-aminocyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]boronic acid
CID 18391461
[(1R,6R)-6-aminocyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 53843939
(2R)-1-[(1R,6R)-6-aminocyclohex-3-ene-1-carbonyl]-2-methylpyrrolidin-1-ium-1-carbonitrile
CID 56975377
[1-[(1S,6S)-6-aminocyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]boronic acid
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(6-Aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
CID 57137224

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide (CID 71789244) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide is O=C(NC1CC(=O)N(C2CC2)C1)C1CC=CCC1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ZTFDKIGUDOUVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-8-11(9-16(13)12-6-7-12)15-14(18)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2,(H,15,18).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 3 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)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71789244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).