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

C12H19NO — CID 106655516

IUPAC1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCCC1
InChIInChI=1S/C12H19NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h2,7,13H,1,3-6,8-10H2
InChIKeyPSWCFACQAYBXQT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.22
Rot. Bonds5

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

1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 106655516) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
PubChem CID106655516
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCCC1
InChIInChI=1S/C12H19NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h2,7,13H,1,3-6,8-10H2
InChIKeyPSWCFACQAYBXQT-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.22
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-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655515
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
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
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
cycloheptene-1-carboxamide
CID 22261654
(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
CID 134966270

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone (CID 106655516) is 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is PSWCFACQAYBXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h2,7,13H,1,3-6,8-10H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone?
1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 193.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 106655516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).