1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C14H22N2O2 — CID 3243531

IUPAC1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H22N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,18)
InChIKeyIRJLCZRBWOTLHS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds3

About 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3243531) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3243531
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H22N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,18)
InChIKeyIRJLCZRBWOTLHS-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 3243531) is 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IRJLCZRBWOTLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,18).
What are the key properties of 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3243531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).