N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide

C14H24N2O2 — CID 17217959

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-13-8-4-10-16(13)11-5-9-15-14(18)12-6-2-1-3-7-12/h12H,1-11H2,(H,15,18)
InChIKeyWZALXNTYYIHFDL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide (PubChem CID 17217959) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide
PubChem CID17217959
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-13-8-4-10-16(13)11-5-9-15-14(18)12-6-2-1-3-7-12/h12H,1-11H2,(H,15,18)
InChIKeyWZALXNTYYIHFDL-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide (CID 17217959) is N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide is O=C(NCCCN1CCCC1=O)C1CCCCC1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide?
The InChIKey is WZALXNTYYIHFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13-8-4-10-16(13)11-5-9-15-14(18)12-6-2-1-3-7-12/h12H,1-11H2,(H,15,18).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 17217959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).