5-(methylamino)cyclopent-2-en-1-one

C6H9NO — CID 143826604

IUPAC5-(methylamino)cyclopent-2-en-1-one
SMILESCNC1CC=CC1=O
InChIInChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2,4-5,7H,3H2,1H3
InChIKeyVNHMEYCQLRZOBU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.10
Rot. Bonds1

About 5-(methylamino)cyclopent-2-en-1-one

5-(methylamino)cyclopent-2-en-1-one (PubChem CID 143826604) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5-(methylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(methylamino)cyclopent-2-en-1-one
PubChem CID143826604
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5-(methylamino)cyclopent-2-en-1-one
SMILESCNC1CC=CC1=O
InChIInChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2,4-5,7H,3H2,1H3
InChIKeyVNHMEYCQLRZOBU-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
CID 100954112
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine
CID 130224918
methyl 2-oxo-6-sulfanylcyclohex-3-ene-1-carboxylate
CID 145293977
(3S)-3-(methylamino)azetidin-2-one
CID 118915758
tricyclo[6.2.2.02,7]dodec-4-en-3-one
CID 123342410
(1S,6R,11S)-11-methylbicyclo[4.4.1]undeca-3,7,9-trien-2-one
CID 10844970
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
N-methylcyclopent-3-en-1-amine
CID 21306607
1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
CID 22984690
3-cyclohex-3-en-1-yl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985090

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)cyclopent-2-en-1-one?
The IUPAC name of 5-(methylamino)cyclopent-2-en-1-one (CID 143826604) is 5-(methylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 5-(methylamino)cyclopent-2-en-1-one?
The canonical SMILES for 5-(methylamino)cyclopent-2-en-1-one is CNC1CC=CC1=O.
What is the InChIKey of 5-(methylamino)cyclopent-2-en-1-one?
The InChIKey is VNHMEYCQLRZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2,4-5,7H,3H2,1H3.
What are the key properties of 5-(methylamino)cyclopent-2-en-1-one?
5-(methylamino)cyclopent-2-en-1-one has a molecular weight of 111.14 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 143826604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).