1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone

C9H15NO — CID 142003192

IUPAC1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone
SMILESCNC1CCC=CC1C(C)=O
InChIInChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3,5,8-10H,4,6H2,1-2H3
InChIKeyYRHTULOQBCFOGZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds2

About 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone

1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone (PubChem CID 142003192) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone
PubChem CID142003192
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone
SMILESCNC1CCC=CC1C(C)=O
InChIInChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3,5,8-10H,4,6H2,1-2H3
InChIKeyYRHTULOQBCFOGZ-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
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

5-methyl-2-[[(E)-octadec-9-enyl]amino]heptan-4-one
CID 11646865
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
(E,4R)-2-methyl-4-(2-methylpropyl)-7-(propan-2-ylamino)hept-5-en-3-one
CID 58143605
(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide
CID 58168745
(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide
CID 58168933
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
1-[(1R,6S)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946334
1-[(1S,6S)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946337
1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946345

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone?
The IUPAC name of 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone (CID 142003192) is 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone?
The canonical SMILES for 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone is CNC1CCC=CC1C(C)=O.
What is the InChIKey of 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone?
The InChIKey is YRHTULOQBCFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3,5,8-10H,4,6H2,1-2H3.
What are the key properties of 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone?
1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)cyclohex-2-en-1-yl]ethanone is sourced from PubChem (CID 142003192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).