(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine

C14H14N2 — CID 146638672

IUPAC(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine
SMILESC=C/C=C1/C=C2C=CN=CCC2=C/C1=N\C
InChIInChI=1S/C14H14N2/c1-3-4-13-9-11-5-7-16-8-6-12(11)10-14(13)15-2/h3-5,7-10H,1,6H2,2H3/b13-4-,15-14+
InChIKeyCACJNABRXVXNCY-CCCMZSIFSA-N
MW210.28 g/mol
LogP3.02
Rot. Bonds1

About (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine

(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine (PubChem CID 146638672) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine.

Molecular Properties

Compound Name(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine
PubChem CID146638672
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine
SMILESC=C/C=C1/C=C2C=CN=CCC2=C/C1=N\C
InChIInChI=1S/C14H14N2/c1-3-4-13-9-11-5-7-16-8-6-12(11)10-14(13)15-2/h3-5,7-10H,1,6H2,2H3/b13-4-,15-14+
InChIKeyCACJNABRXVXNCY-CCCMZSIFSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine?
The IUPAC name of (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine (CID 146638672) is (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine.
What is the SMILES notation for (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine?
The canonical SMILES for (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine is C=C/C=C1/C=C2C=CN=CCC2=C/C1=N\C.
What is the InChIKey of (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine?
The InChIKey is CACJNABRXVXNCY-CCCMZSIFSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-4-13-9-11-5-7-16-8-6-12(11)10-14(13)15-2/h3-5,7-10H,1,6H2,2H3/b13-4-,15-14+.
What are the key properties of (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine?
(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine has a molecular weight of 210.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine is sourced from PubChem (CID 146638672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).