1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one

C11H19NO — CID 69048522

IUPAC1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(C1=CCCCC1)N(C)C
InChIInChI=1S/C11H19NO/c1-9(13)11(12(2)3)10-7-5-4-6-8-10/h7,11H,4-6,8H2,1-3H3
InChIKeyBVNZRMXAHQITCH-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds3

About 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one

1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one (PubChem CID 69048522) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
PubChem CID69048522
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(C1=CCCCC1)N(C)C
InChIInChI=1S/C11H19NO/c1-9(13)11(12(2)3)10-7-5-4-6-8-10/h7,11H,4-6,8H2,1-3H3
InChIKeyBVNZRMXAHQITCH-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21392290
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1-(1-iodoethyl)cyclohexene
CID 126621262
(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid
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N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
[2-(cyclohexen-1-yl)-2-nitroethyl] acetate
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ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide
CID 176576543
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one (CID 69048522) is 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one is CC(=O)C(C1=CCCCC1)N(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one?
The InChIKey is BVNZRMXAHQITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)11(12(2)3)10-7-5-4-6-8-10/h7,11H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one?
1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 69048522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).