3-propylpyrrol-2-one

C7H9NO — CID 154287731

IUPAC3-propylpyrrol-2-one
SMILESCCCC1=CC=NC1=O
InChIInChI=1S/C7H9NO/c1-2-3-6-4-5-8-7(6)9/h4-5H,2-3H2,1H3
InChIKeyLXWSKBKTCUKQBC-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds2

About 3-propylpyrrol-2-one

3-propylpyrrol-2-one (PubChem CID 154287731) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-propylpyrrol-2-one.

Molecular Properties

Compound Name3-propylpyrrol-2-one
PubChem CID154287731
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-propylpyrrol-2-one
SMILESCCCC1=CC=NC1=O
InChIInChI=1S/C7H9NO/c1-2-3-6-4-5-8-7(6)9/h4-5H,2-3H2,1H3
InChIKeyLXWSKBKTCUKQBC-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Prop-2-enylpyrrol-2-one
CID 66897497
2-But-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
CID 91029792
6-methyl-5H-isoquinolin-1-one
CID 91415570
3-Octylpyrrol-2-one
CID 140967878
3-Ethylpyrrol-2-one
CID 140974856
3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
4-Propylpyrrol-2-one
CID 141118910
(E)-N-methylidene-2-propylhex-2-enamide
CID 141239131
3-(2-Methylpropyl)pyrrol-2-one
CID 141393042
(E)-2-ethyl-4-methyliminobut-2-enamide
CID 142051160
3-Hexadecylpyrrol-2-one
CID 150024905

Frequently Asked Questions

What is the IUPAC name of 3-propylpyrrol-2-one?
The IUPAC name of 3-propylpyrrol-2-one (CID 154287731) is 3-propylpyrrol-2-one.
What is the SMILES notation for 3-propylpyrrol-2-one?
The canonical SMILES for 3-propylpyrrol-2-one is CCCC1=CC=NC1=O.
What is the InChIKey of 3-propylpyrrol-2-one?
The InChIKey is LXWSKBKTCUKQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-3-6-4-5-8-7(6)9/h4-5H,2-3H2,1H3.
What are the key properties of 3-propylpyrrol-2-one?
3-propylpyrrol-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyrrol-2-one is sourced from PubChem (CID 154287731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).