6a,10a-dihydro-4aH-benzo[c][1]benzazepine

C14H13N — CID 57118179

IUPAC6a,10a-dihydro-4aH-benzo[c][1]benzazepine
SMILESC1=CC2=CC3C=CC=CC3C=NC2C=C1
InChIInChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-11,13-14H
InChIKeyVKEYBOBPNFDHID-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.85
Rot. Bonds

About 6a,10a-dihydro-4aH-benzo[c][1]benzazepine

6a,10a-dihydro-4aH-benzo[c][1]benzazepine (PubChem CID 57118179) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 6a,10a-dihydro-4aH-benzo[c][1]benzazepine.

Molecular Properties

Compound Name6a,10a-dihydro-4aH-benzo[c][1]benzazepine
PubChem CID57118179
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name6a,10a-dihydro-4aH-benzo[c][1]benzazepine
SMILESC1=CC2=CC3C=CC=CC3C=NC2C=C1
InChIInChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-11,13-14H
InChIKeyVKEYBOBPNFDHID-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6a,10a-dihydro-4aH-benzo[c][1]benzazepine?
The IUPAC name of 6a,10a-dihydro-4aH-benzo[c][1]benzazepine (CID 57118179) is 6a,10a-dihydro-4aH-benzo[c][1]benzazepine.
What is the SMILES notation for 6a,10a-dihydro-4aH-benzo[c][1]benzazepine?
The canonical SMILES for 6a,10a-dihydro-4aH-benzo[c][1]benzazepine is C1=CC2=CC3C=CC=CC3C=NC2C=C1.
What is the InChIKey of 6a,10a-dihydro-4aH-benzo[c][1]benzazepine?
The InChIKey is VKEYBOBPNFDHID-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/h1-11,13-14H.
What are the key properties of 6a,10a-dihydro-4aH-benzo[c][1]benzazepine?
6a,10a-dihydro-4aH-benzo[c][1]benzazepine has a molecular weight of 195.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,10a-dihydro-4aH-benzo[c][1]benzazepine is sourced from PubChem (CID 57118179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).