1-ethenyl-N-methyl-4H-azepin-7-imine

C9H12N2 — CID 178158313

IUPAC1-ethenyl-N-methyl-4H-azepin-7-imine
SMILESC=CN1C=CCC=C/C1=N\C
InChIInChI=1S/C9H12N2/c1-3-11-8-6-4-5-7-9(11)10-2/h3,5-8H,1,4H2,2H3/b10-9+
InChIKeyOUYWVIWGMMWTFL-MDZDMXLPSA-N
MW148.21 g/mol
LogP1.93
Rot. Bonds1

About 1-ethenyl-N-methyl-4H-azepin-7-imine

1-ethenyl-N-methyl-4H-azepin-7-imine (PubChem CID 178158313) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-4H-azepin-7-imine.

Molecular Properties

Compound Name1-ethenyl-N-methyl-4H-azepin-7-imine
PubChem CID178158313
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-ethenyl-N-methyl-4H-azepin-7-imine
SMILESC=CN1C=CCC=C/C1=N\C
InChIInChI=1S/C9H12N2/c1-3-11-8-6-4-5-7-9(11)10-2/h3,5-8H,1,4H2,2H3/b10-9+
InChIKeyOUYWVIWGMMWTFL-MDZDMXLPSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3H-azepin-2-amine
CID 15331813
1-(azet-2-yl)-3,6-dihydro-2H-pyridine
CID 57036027
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
N,N,3-trimethyl-2,3-dihydropyridin-6-amine
CID 118066584
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
CID 126584530
N-ethenyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286579
N'-methyl-N-[(E)-3-methylbut-1-enyl]-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286724
N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
CID 134578231
N,1,5-trimethylpyridin-2-imine
CID 135258651

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-4H-azepin-7-imine?
The IUPAC name of 1-ethenyl-N-methyl-4H-azepin-7-imine (CID 178158313) is 1-ethenyl-N-methyl-4H-azepin-7-imine.
What is the SMILES notation for 1-ethenyl-N-methyl-4H-azepin-7-imine?
The canonical SMILES for 1-ethenyl-N-methyl-4H-azepin-7-imine is C=CN1C=CCC=C/C1=N\C.
What is the InChIKey of 1-ethenyl-N-methyl-4H-azepin-7-imine?
The InChIKey is OUYWVIWGMMWTFL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-11-8-6-4-5-7-9(11)10-2/h3,5-8H,1,4H2,2H3/b10-9+.
What are the key properties of 1-ethenyl-N-methyl-4H-azepin-7-imine?
1-ethenyl-N-methyl-4H-azepin-7-imine has a molecular weight of 148.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-4H-azepin-7-imine is sourced from PubChem (CID 178158313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).