1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone

C11H17NO — CID 106655515

IUPAC1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCC1
InChIInChI=1S/C11H17NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h2,6,12H,1,3-5,7-9H2
InChIKeyNEAJSOINMAWVRJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.83
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone

1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 106655515) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
PubChem CID106655515
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCC1
InChIInChI=1S/C11H17NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h2,6,12H,1,3-5,7-9H2
InChIKeyNEAJSOINMAWVRJ-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655516
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
1-(cyclopenten-1-yl)hex-5-en-1-one
CID 103847180
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate
CID 101385200
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
CID 134966270
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
1-(3-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 107361494
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone (CID 106655515) is 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is NEAJSOINMAWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h2,6,12H,1,3-5,7-9H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone?
1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 106655515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).