1-methyl-2-propyl-2H-pyrrol-5-one

C8H13NO — CID 171490709

IUPAC1-methyl-2-propyl-2H-pyrrol-5-one
SMILESCCCC1C=CC(=O)N1C
InChIInChI=1S/C8H13NO/c1-3-4-7-5-6-8(10)9(7)2/h5-7H,3-4H2,1-2H3
InChIKeyDRQMBRGICYXXAA-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About 1-methyl-2-propyl-2H-pyrrol-5-one

1-methyl-2-propyl-2H-pyrrol-5-one (PubChem CID 171490709) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-2-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-methyl-2-propyl-2H-pyrrol-5-one
PubChem CID171490709
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-methyl-2-propyl-2H-pyrrol-5-one
SMILESCCCC1C=CC(=O)N1C
InChIInChI=1S/C8H13NO/c1-3-4-7-5-6-8(10)9(7)2/h5-7H,3-4H2,1-2H3
InChIKeyDRQMBRGICYXXAA-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-1-propyl-2H-pyrrol-5-one
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(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
(2R)-1-(diphosphanyl)-2-ethyl-2H-pyrrol-5-one
CID 58363460
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
1-methyl-2-propyl-2,5-dihydropyrrole
CID 153356137
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
(2R)-2-propyl-1,2-dihydropyrrol-5-one
CID 56589945
1,2-dimethyl-2H-pyridine-3,6-dione
CID 174843898
3-methyl-2-propylimidazolidin-4-one
CID 83259789
1,4,4-trimethyl-5-propylimidazolidin-2-one
CID 123476601
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CID 116982231

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-2H-pyrrol-5-one?
The IUPAC name of 1-methyl-2-propyl-2H-pyrrol-5-one (CID 171490709) is 1-methyl-2-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-methyl-2-propyl-2H-pyrrol-5-one?
The canonical SMILES for 1-methyl-2-propyl-2H-pyrrol-5-one is CCCC1C=CC(=O)N1C.
What is the InChIKey of 1-methyl-2-propyl-2H-pyrrol-5-one?
The InChIKey is DRQMBRGICYXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-7-5-6-8(10)9(7)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-2H-pyrrol-5-one?
1-methyl-2-propyl-2H-pyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 171490709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).