4-propylpyrrol-2-one

C7H9NO — CID 141118910

IUPAC4-propylpyrrol-2-one
SMILESCCCC1=CC(=O)N=C1
InChIInChI=1S/C7H9NO/c1-2-3-6-4-7(9)8-5-6/h4-5H,2-3H2,1H3
InChIKeyMNJGMWSZKBWNIO-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds2

About 4-propylpyrrol-2-one

4-propylpyrrol-2-one (PubChem CID 141118910) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-propylpyrrol-2-one.

Molecular Properties

Compound Name4-propylpyrrol-2-one
PubChem CID141118910
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-propylpyrrol-2-one
SMILESCCCC1=CC(=O)N=C1
InChIInChI=1S/C7H9NO/c1-2-3-6-4-7(9)8-5-6/h4-5H,2-3H2,1H3
InChIKeyMNJGMWSZKBWNIO-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

4-Methylpyrrol-2-one
CID 20504634
4-Ethylpyrrol-2-one
CID 70183276
5-Ethyl-4-methylpyrrol-2-one
CID 90298419
(Z)-3-(methyliminomethyl)pent-2-enamide
CID 130459439
4-methyl-3H-pyridin-6-one
CID 153916741
3-Propylpyrrol-2-one
CID 154287731
6-Propylazepin-2-one
CID 175327037

Frequently Asked Questions

What is the IUPAC name of 4-propylpyrrol-2-one?
The IUPAC name of 4-propylpyrrol-2-one (CID 141118910) is 4-propylpyrrol-2-one.
What is the SMILES notation for 4-propylpyrrol-2-one?
The canonical SMILES for 4-propylpyrrol-2-one is CCCC1=CC(=O)N=C1.
What is the InChIKey of 4-propylpyrrol-2-one?
The InChIKey is MNJGMWSZKBWNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-3-6-4-7(9)8-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-propylpyrrol-2-one?
4-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 4-propylpyrrol-2-one is sourced from PubChem (CID 141118910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).