1-[2-(methylamino)cyclohexen-1-yl]ethanone

C9H15NO — CID 20689584

IUPAC1-[2-(methylamino)cyclohexen-1-yl]ethanone
SMILESCNC1=C(C(C)=O)CCCC1
InChIInChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h10H,3-6H2,1-2H3
InChIKeyMIYVVFKPAIDESR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds2

About 1-[2-(methylamino)cyclohexen-1-yl]ethanone

1-[2-(methylamino)cyclohexen-1-yl]ethanone (PubChem CID 20689584) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[2-(methylamino)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)cyclohexen-1-yl]ethanone
PubChem CID20689584
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[2-(methylamino)cyclohexen-1-yl]ethanone
SMILESCNC1=C(C(C)=O)CCCC1
InChIInChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h10H,3-6H2,1-2H3
InChIKeyMIYVVFKPAIDESR-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)cyclohexen-1-yl]ethanone (CID 20689584) is 1-[2-(methylamino)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)cyclohexen-1-yl]ethanone is CNC1=C(C(C)=O)CCCC1.
What is the InChIKey of 1-[2-(methylamino)cyclohexen-1-yl]ethanone?
The InChIKey is MIYVVFKPAIDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)8-5-3-4-6-9(8)10-2/h10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(methylamino)cyclohexen-1-yl]ethanone?
1-[2-(methylamino)cyclohexen-1-yl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 20689584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).