1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone

C8H13NO — CID 89207660

IUPAC1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone
SMILESCNC1C=CC(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6(10)7-3-4-8(5-7)9-2/h3-4,7-9H,5H2,1-2H3
InChIKeyMGDKAFQFICPHSV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone

1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone (PubChem CID 89207660) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone
PubChem CID89207660
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone
SMILESCNC1C=CC(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6(10)7-3-4-8(5-7)9-2/h3-4,7-9H,5H2,1-2H3
InChIKeyMGDKAFQFICPHSV-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,3R)-6-(methylamino)-3-(2-methylpropyl)hex-4-en-2-one
CID 58143625
2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 22154187
(4aR,8aS)-2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 54456542
1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethanone
CID 57753762
(E,4R)-2-methyl-4-(2-methylpropyl)-7-(propan-2-ylamino)hept-5-en-3-one
CID 58143605
1-[(1R,4Z)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
CID 58855621
1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
CID 58855645
(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one
CID 59105020
(E,3S,4R,5R)-4,5-dimethyl-3-(methylamino)non-7-en-2-one
CID 89190333
1-[6-(1-Aminoethyl)cyclohex-3-en-1-yl]ethanone
CID 89294114
1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone
CID 89345469
1-[(1S,4R)-4-aminocyclopent-2-en-1-yl]ethanone
CID 89771350

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone (CID 89207660) is 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone is CNC1C=CC(C(C)=O)C1.
What is the InChIKey of 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone?
The InChIKey is MGDKAFQFICPHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(10)7-3-4-8(5-7)9-2/h3-4,7-9H,5H2,1-2H3.
What are the key properties of 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone?
1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 89207660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).