4,10a-dihydro-1H-benzo[c][1]benzazepine

C14H13N — CID 57190730

IUPAC4,10a-dihydro-1H-benzo[c][1]benzazepine
SMILESC1=CC2=CN=C3CC=CCC3=CC2C=C1
InChIInChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-5,7,9-11H,6,8H2
InChIKeyNAWMXXUZOKQVRG-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.34
Rot. Bonds

About 4,10a-dihydro-1H-benzo[c][1]benzazepine

4,10a-dihydro-1H-benzo[c][1]benzazepine (PubChem CID 57190730) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 4,10a-dihydro-1H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name4,10a-dihydro-1H-benzo[c][1]benzazepine
PubChem CID57190730
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name4,10a-dihydro-1H-benzo[c][1]benzazepine
SMILESC1=CC2=CN=C3CC=CCC3=CC2C=C1
InChIInChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-5,7,9-11H,6,8H2
InChIKeyNAWMXXUZOKQVRG-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
Dibenz[b,f]azocine
CID 23633137
10,11-Dihydro-dibenzazepine
CID 126697729
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
Dibenzo[b,f][1,4]diazocine
CID 11969075
4h-Indenopyridine
CID 129788783
7,10-dihydro-6H-benzo[b][1]benzazepine
CID 22063027
(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
CID 23633136
3,4,6,6a-Tetrahydrophenanthridine
CID 57146613
6a,7,10,11a-tetrahydro-6H-benzo[b][1]benzazepine
CID 57282707
2-phenyl-3H-pyrrole
CID 57701522
Iridium;2-phenyl-3,4-dihydropyridine
CID 58695375

Frequently Asked Questions

What is the IUPAC name of 4,10a-dihydro-1H-benzo[c][1]benzazepine?
The IUPAC name of 4,10a-dihydro-1H-benzo[c][1]benzazepine (CID 57190730) is 4,10a-dihydro-1H-benzo[c][1]benzazepine.
What is the SMILES notation for 4,10a-dihydro-1H-benzo[c][1]benzazepine?
The canonical SMILES for 4,10a-dihydro-1H-benzo[c][1]benzazepine is C1=CC2=CN=C3CC=CCC3=CC2C=C1.
What is the InChIKey of 4,10a-dihydro-1H-benzo[c][1]benzazepine?
The InChIKey is NAWMXXUZOKQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-5,7,9-11H,6,8H2.
What are the key properties of 4,10a-dihydro-1H-benzo[c][1]benzazepine?
4,10a-dihydro-1H-benzo[c][1]benzazepine has a molecular weight of 195.27 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10a-dihydro-1H-benzo[c][1]benzazepine is sourced from PubChem (CID 57190730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).