2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide

C14H24N2O2 — CID 79546432

IUPAC2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H24N2O2/c1-2-9-15-14(18)16-10-5-7-12(16)11-6-3-4-8-13(11)17/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeySDIHVAKRZHXDCW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.33
Rot. Bonds3

About 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide

2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 79546432) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
PubChem CID79546432
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H24N2O2/c1-2-9-15-14(18)16-10-5-7-12(16)11-6-3-4-8-13(11)17/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeySDIHVAKRZHXDCW-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide (CID 79546432) is 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is SDIHVAKRZHXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-9-15-14(18)16-10-5-7-12(16)11-6-3-4-8-13(11)17/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide?
2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79546432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).