N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine

C11H12N2 — CID 130351026

IUPACN-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine
SMILESC=C/N=C/C1=CN=CC=C(C=C)C1
InChIInChI=1S/C11H12N2/c1-3-10-5-6-13-9-11(7-10)8-12-4-2/h3-6,8-9H,1-2,7H2/b12-8+
InChIKeyYPZLVMQULZZRQN-XYOKQWHBSA-N
MW172.23 g/mol
LogP2.67
Rot. Bonds3

About N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine

N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine (PubChem CID 130351026) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine.

Molecular Properties

Compound NameN-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine
PubChem CID130351026
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine
SMILESC=C/N=C/C1=CN=CC=C(C=C)C1
InChIInChI=1S/C11H12N2/c1-3-10-5-6-13-9-11(7-10)8-12-4-2/h3-6,8-9H,1-2,7H2/b12-8+
InChIKeyYPZLVMQULZZRQN-XYOKQWHBSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzazocine
CID 19879720
2H-1,4-Benzodiazepine
CID 21162934
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
1,5-Benzodiazocine
CID 23633143
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
3,6-dimethyl-3H-azepine
CID 10103165
6,7-Dihydroisoquinoline
CID 45079920
6-propyl-3H-azepine
CID 53671035
CID 54211489
CID 54211489
4H-2-benzazepine
CID 54406986
CID 54466007
CID 54466007

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine?
The IUPAC name of N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine (CID 130351026) is N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine.
What is the SMILES notation for N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine?
The canonical SMILES for N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine is C=C/N=C/C1=CN=CC=C(C=C)C1.
What is the InChIKey of N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine?
The InChIKey is YPZLVMQULZZRQN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-10-5-6-13-9-11(7-10)8-12-4-2/h3-6,8-9H,1-2,7H2/b12-8+.
What are the key properties of N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine?
N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine has a molecular weight of 172.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine is sourced from PubChem (CID 130351026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).