4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine

C14H15N — CID 57078566

IUPAC4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
SMILESC1=CCC2N=CC3C=CC=CC3CC2=C1
InChIInChI=1S/C14H15N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-7,10-11,13-14H,8-9H2
InChIKeyKFAGUWWZIAZWEV-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.07
Rot. Bonds

About 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine

4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine (PubChem CID 57078566) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
PubChem CID57078566
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
SMILESC1=CCC2N=CC3C=CC=CC3CC2=C1
InChIInChI=1S/C14H15N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-7,10-11,13-14H,8-9H2
InChIKeyKFAGUWWZIAZWEV-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine with MolForge

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Related Compounds

16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2,5,5a,9a-tetrahydro-1H-3-benzazepine
CID 54189236
2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
4,5,5a,9a-tetrahydro-1H-2-benzazepine
CID 54443574

Frequently Asked Questions

What is the IUPAC name of 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine?
The IUPAC name of 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine (CID 57078566) is 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine.
What is the SMILES notation for 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine?
The canonical SMILES for 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine is C1=CCC2N=CC3C=CC=CC3CC2=C1.
What is the InChIKey of 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine?
The InChIKey is KFAGUWWZIAZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-7,10-11,13-14H,8-9H2.
What are the key properties of 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine?
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine has a molecular weight of 197.28 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine is sourced from PubChem (CID 57078566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).