4-methyl-1,2-dihydropyrrol-5-one

C5H7NO — CID 14784415

IUPAC4-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=CCNC1=O
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2H,3H2,1H3,(H,6,7)
InChIKeyFKGZOXIZGQWMTF-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.06
Rot. Bonds

About 4-methyl-1,2-dihydropyrrol-5-one

4-methyl-1,2-dihydropyrrol-5-one (PubChem CID 14784415) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-methyl-1,2-dihydropyrrol-5-one
PubChem CID14784415
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=CCNC1=O
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2H,3H2,1H3,(H,6,7)
InChIKeyFKGZOXIZGQWMTF-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Isopropylmethacrylamide
CID 83698
Citraconimide
CID 95941
2,5-dihydro-1H-pyrrol-2-one
CID 637997
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N-Allylmethacrylamide
CID 75139
3,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-one
CID 574037
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(2-methylpropyl)-2-methylbutenamide
CID 76526197
N-(3-Aminopropyl) methacrylamide
CID 2734954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-methyl-1,2-dihydropyrrol-5-one (CID 14784415) is 4-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-methyl-1,2-dihydropyrrol-5-one is CC1=CCNC1=O.
What is the InChIKey of 4-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is FKGZOXIZGQWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2H,3H2,1H3,(H,6,7).
What are the key properties of 4-methyl-1,2-dihydropyrrol-5-one?
4-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 97.12 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 14784415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).