3-(2-methylpropyl)pyrrol-2-one

C8H11NO — CID 141393042

IUPAC3-(2-methylpropyl)pyrrol-2-one
SMILESCC(C)CC1=CC=NC1=O
InChIInChI=1S/C8H11NO/c1-6(2)5-7-3-4-9-8(7)10/h3-4,6H,5H2,1-2H3
InChIKeyFYNICAPTAAHUJB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.57
Rot. Bonds2

About 3-(2-methylpropyl)pyrrol-2-one

3-(2-methylpropyl)pyrrol-2-one (PubChem CID 141393042) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrol-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrrol-2-one
PubChem CID141393042
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(2-methylpropyl)pyrrol-2-one
SMILESCC(C)CC1=CC=NC1=O
InChIInChI=1S/C8H11NO/c1-6(2)5-7-3-4-9-8(7)10/h3-4,6H,5H2,1-2H3
InChIKeyFYNICAPTAAHUJB-UHFFFAOYSA-N
XLogP1.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azabicyclo[5.3.0]decadienone
CID 132275831
2-methyl-1-(2-methyl-2H-pyrrol-3-yl)propan-1-one
CID 57789310
3-Cyclohex-3-en-1-ylpyrrol-2-one
CID 67765123
3-propyl-3H-pyridin-2-one
CID 73666158
5-methyl-5H-isoquinolin-1-one
CID 91571244
3-Octylpyrrol-2-one
CID 140967878
3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
3-Propyl-2,3-dihydropyridine-4-carboxamide
CID 142050785
4-(2-methylpropyl)-3H-pyridin-2-one
CID 148639558
3-Propylpyrrol-2-one
CID 154287731
3-(2-Ethylhexyl)pyrrol-2-one
CID 178258921

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)pyrrol-2-one?
The IUPAC name of 3-(2-methylpropyl)pyrrol-2-one (CID 141393042) is 3-(2-methylpropyl)pyrrol-2-one.
What is the SMILES notation for 3-(2-methylpropyl)pyrrol-2-one?
The canonical SMILES for 3-(2-methylpropyl)pyrrol-2-one is CC(C)CC1=CC=NC1=O.
What is the InChIKey of 3-(2-methylpropyl)pyrrol-2-one?
The InChIKey is FYNICAPTAAHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)5-7-3-4-9-8(7)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)pyrrol-2-one?
3-(2-methylpropyl)pyrrol-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrrol-2-one is sourced from PubChem (CID 141393042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).