6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine

C14H15N — CID 54099123

IUPAC6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine
SMILESC1=CC2=C(CC1)Cc1ccccc1NC2
InChIInChI=1S/C14H15N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h2-4,6-8,15H,1,5,9-10H2
InChIKeyMZHKZNMPGPEFCU-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.30
Rot. Bonds

About 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine

6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine (PubChem CID 54099123) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine
PubChem CID54099123
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine
SMILESC1=CC2=C(CC1)Cc1ccccc1NC2
InChIInChI=1S/C14H15N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h2-4,6-8,15H,1,5,9-10H2
InChIKeyMZHKZNMPGPEFCU-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine?
The IUPAC name of 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine (CID 54099123) is 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine.
What is the SMILES notation for 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine?
The canonical SMILES for 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine is C1=CC2=C(CC1)Cc1ccccc1NC2.
What is the InChIKey of 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine?
The InChIKey is MZHKZNMPGPEFCU-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/h2-4,6-8,15H,1,5,9-10H2.
What are the key properties of 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine?
6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine has a molecular weight of 197.28 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine is sourced from PubChem (CID 54099123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).