4-hexan-2-ylpyrrolidin-2-one

C10H19NO — CID 10630969

IUPAC4-hexan-2-ylpyrrolidin-2-one
SMILESCCCCC(C)C1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-8(2)9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDKVHJCXKSMJEIU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds4

About 4-hexan-2-ylpyrrolidin-2-one

4-hexan-2-ylpyrrolidin-2-one (PubChem CID 10630969) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-hexan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hexan-2-ylpyrrolidin-2-one
PubChem CID10630969
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-hexan-2-ylpyrrolidin-2-one
SMILESCCCCC(C)C1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-8(2)9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDKVHJCXKSMJEIU-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
2-Azaspiro(4.5)decan-3-one
CID 47457
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598
N-Butyl-2-ethylhexanamide
CID 24058
Octanamide, N-(5-amino-4-methylpentyl)-
CID 11107544
2-Azaspiro(4.5)decan-1-one
CID 25067265
4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
4-(Piperidin-4-yl)pyrrolidin-2-one
CID 75481059
Octahydro-1h-isoindol-1-one
CID 112047

Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-hexan-2-ylpyrrolidin-2-one (CID 10630969) is 4-hexan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-hexan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-hexan-2-ylpyrrolidin-2-one is CCCCC(C)C1CNC(=O)C1.
What is the InChIKey of 4-hexan-2-ylpyrrolidin-2-one?
The InChIKey is DKVHJCXKSMJEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-8(2)9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-hexan-2-ylpyrrolidin-2-one?
4-hexan-2-ylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 10630969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).