N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine

C15H18N2 — CID 167507213

IUPACN-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine
SMILESC=Cc1c(/N=C/C)c2c(n1C)C=CC(C)C=C2
InChIInChI=1S/C15H18N2/c1-5-13-15(16-6-2)12-9-7-11(3)8-10-14(12)17(13)4/h5-11H,1H2,2-4H3/b16-6+
InChIKeyNLVUFVLHRRJAQU-OMCISZLKSA-N
MW226.32 g/mol
LogP4.07
Rot. Bonds2

About N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine

N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine (PubChem CID 167507213) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine.

Molecular Properties

Compound NameN-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine
PubChem CID167507213
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine
SMILESC=Cc1c(/N=C/C)c2c(n1C)C=CC(C)C=C2
InChIInChI=1S/C15H18N2/c1-5-13-15(16-6-2)12-9-7-11(3)8-10-14(12)17(13)4/h5-11H,1H2,2-4H3/b16-6+
InChIKeyNLVUFVLHRRJAQU-OMCISZLKSA-N
XLogP4.07
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
CID 143010057
5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
CID 144590407
N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
CID 142585035
(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
CID 171634183
N-(2-ethenyl-1-methylindol-3-yl)methanimine
CID 142955095
ethane;3-ethenyl-4-[(4Z,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1H-pyrrol-2-yl]-7-methyl-7H-cyclohepta[c]pyran-1-one
CID 144886900
(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
CID 143895936
N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine
CID 130428866
5-ethenyl-1,2-dimethyl-2H-pyridine
CID 69342103
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
2,3-bis(ethenyl)-1-methylpyrrole
CID 66833587
4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene
CID 142928653

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine?
The IUPAC name of N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine (CID 167507213) is N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine.
What is the SMILES notation for N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine?
The canonical SMILES for N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine is C=Cc1c(/N=C/C)c2c(n1C)C=CC(C)C=C2.
What is the InChIKey of N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine?
The InChIKey is NLVUFVLHRRJAQU-OMCISZLKSA-N. The full InChI is InChI=1S/C15H18N2/c1-5-13-15(16-6-2)12-9-7-11(3)8-10-14(12)17(13)4/h5-11H,1H2,2-4H3/b16-6+.
What are the key properties of N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine?
N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine has a molecular weight of 226.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine is sourced from PubChem (CID 167507213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).