1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

C15H22N2O2 — CID 47158362

IUPAC1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H22N2O2/c18-14(16-12-8-9-12)13-7-4-10-17(13)15(19)11-5-2-1-3-6-11/h1-2,11-13H,3-10H2,(H,16,18)
InChIKeyRWSMROZLOYDUJU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds3

About 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 47158362) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID47158362
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H22N2O2/c18-14(16-12-8-9-12)13-7-4-10-17(13)15(19)11-5-2-1-3-6-11/h1-2,11-13H,3-10H2,(H,16,18)
InChIKeyRWSMROZLOYDUJU-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 47158362) is 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)C1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is RWSMROZLOYDUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(16-12-8-9-12)13-7-4-10-17(13)15(19)11-5-2-1-3-6-11/h1-2,11-13H,3-10H2,(H,16,18).
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47158362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).