1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one

C11H19NO — CID 123375672

IUPAC1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CC1=CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h6H,3-5,7-9H2,1-2H3
InChIKeyQDFCSUVJFSWYOG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one

1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one (PubChem CID 123375672) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one
PubChem CID123375672
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CC1=CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h6H,3-5,7-9H2,1-2H3
InChIKeyQDFCSUVJFSWYOG-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

3-[2-[Methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one
CID 14814806
1-Cyclohex-1-en-1-yl-3-(dimethylamino)propan-1-one
CID 12219677
Ymd9B63mkw
CID 70848313
3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one
CID 118018351
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CID 13511575
6-(Cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one
CID 14566638
3-[2-(Diethylamino)ethyl]cyclohex-2-en-1-one
CID 9813029
3-(2-Dipropylamino-ethyl)-cyclohex-2-enone
CID 9920908
3-[2-(Dibutylamino)ethyl]cyclohex-2-en-1-one
CID 9921274
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hexan-1-one
CID 21757423
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-2-one
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3-(Dimethylamino)-7-methyloct-6-en-2-one
CID 23550308

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one (CID 123375672) is 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one is CN(C)CC(=O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one?
The InChIKey is QDFCSUVJFSWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one?
1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 123375672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).