3-pentyl-3,4-dihydropyrrol-2-one

C9H15NO — CID 162720020

IUPAC3-pentyl-3,4-dihydropyrrol-2-one
SMILESCCCCCC1CC=NC1=O
InChIInChI=1S/C9H15NO/c1-2-3-4-5-8-6-7-10-9(8)11/h7-8H,2-6H2,1H3
InChIKeyKTSAHVIUPODANQ-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.18
Rot. Bonds4

About 3-pentyl-3,4-dihydropyrrol-2-one

3-pentyl-3,4-dihydropyrrol-2-one (PubChem CID 162720020) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-pentyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name3-pentyl-3,4-dihydropyrrol-2-one
PubChem CID162720020
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-pentyl-3,4-dihydropyrrol-2-one
SMILESCCCCCC1CC=NC1=O
InChIInChI=1S/C9H15NO/c1-2-3-4-5-8-6-7-10-9(8)11/h7-8H,2-6H2,1H3
InChIKeyKTSAHVIUPODANQ-UHFFFAOYSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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3-Cyclohexyl-3,4-dihydropyrrol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-3,4-dihydropyrrol-2-one?
The IUPAC name of 3-pentyl-3,4-dihydropyrrol-2-one (CID 162720020) is 3-pentyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for 3-pentyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for 3-pentyl-3,4-dihydropyrrol-2-one is CCCCCC1CC=NC1=O.
What is the InChIKey of 3-pentyl-3,4-dihydropyrrol-2-one?
The InChIKey is KTSAHVIUPODANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-5-8-6-7-10-9(8)11/h7-8H,2-6H2,1H3.
What are the key properties of 3-pentyl-3,4-dihydropyrrol-2-one?
3-pentyl-3,4-dihydropyrrol-2-one has a molecular weight of 153.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 162720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).