4-butyl-1-methyl-3H-pyrrol-2-one

C9H15NO — CID 171490713

IUPAC4-butyl-1-methyl-3H-pyrrol-2-one
SMILESCCCCC1=CN(C)C(=O)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h7H,3-6H2,1-2H3
InChIKeyXOICHTBQVFXXSP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds3

About 4-butyl-1-methyl-3H-pyrrol-2-one

4-butyl-1-methyl-3H-pyrrol-2-one (PubChem CID 171490713) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-butyl-1-methyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name4-butyl-1-methyl-3H-pyrrol-2-one
PubChem CID171490713
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-butyl-1-methyl-3H-pyrrol-2-one
SMILESCCCCC1=CN(C)C(=O)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h7H,3-6H2,1-2H3
InChIKeyXOICHTBQVFXXSP-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-methyl-3H-pyrrol-2-one
CID 171490718
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1-pentylazetidine-2,4-dione
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1-butyl-4-ethylcyclopenta-1,3-diene
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(1R,5S)-3-butylbicyclo[3.2.0]hept-3-en-6-one
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6-butylcyclohepta-3,5-diene-1,2-dione
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4-butyl-1,2-dimethyl-2,5-dihydropyrrole
CID 15505992
4-pentylcyclohex-3-en-1-one
CID 15219552
3-butyl-2H-oxete
CID 141123822
1,4-dibutylpiperazine-2,5-dione
CID 19902955
4-dodecylcyclohex-3-en-1-one
CID 83262280
1-pentylcyclopropene
CID 159067584

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methyl-3H-pyrrol-2-one?
The IUPAC name of 4-butyl-1-methyl-3H-pyrrol-2-one (CID 171490713) is 4-butyl-1-methyl-3H-pyrrol-2-one.
What is the SMILES notation for 4-butyl-1-methyl-3H-pyrrol-2-one?
The canonical SMILES for 4-butyl-1-methyl-3H-pyrrol-2-one is CCCCC1=CN(C)C(=O)C1.
What is the InChIKey of 4-butyl-1-methyl-3H-pyrrol-2-one?
The InChIKey is XOICHTBQVFXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-butyl-1-methyl-3H-pyrrol-2-one?
4-butyl-1-methyl-3H-pyrrol-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methyl-3H-pyrrol-2-one is sourced from PubChem (CID 171490713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).