5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one

C10H15NO — CID 139655338

IUPAC5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
SMILESCC1=CCC(/C(C)=C/N)CC1=O
InChIInChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,6,9H,4-5,11H2,1-2H3/b8-6+
InChIKeyQPXVBAQHZRSSDK-SOFGYWHQSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds1

About 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one

5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one (PubChem CID 139655338) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
PubChem CID139655338
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
SMILESCC1=CCC(/C(C)=C/N)CC1=O
InChIInChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,6,9H,4-5,11H2,1-2H3/b8-6+
InChIKeyQPXVBAQHZRSSDK-SOFGYWHQSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one?
The IUPAC name of 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one (CID 139655338) is 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one is CC1=CCC(/C(C)=C/N)CC1=O.
What is the InChIKey of 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one?
The InChIKey is QPXVBAQHZRSSDK-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,6,9H,4-5,11H2,1-2H3/b8-6+.
What are the key properties of 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one?
5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 139655338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).