6,7,8,9-tetrahydro-3H-1-benzazepine

C10H13N — CID 91238174

IUPAC6,7,8,9-tetrahydro-3H-1-benzazepine
SMILESC1=CC2=C(CCCC2)N=CC1
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3,6,8H,1-2,4-5,7H2
InChIKeyKMDPTWUPUHCDEH-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds

About 6,7,8,9-tetrahydro-3H-1-benzazepine

6,7,8,9-tetrahydro-3H-1-benzazepine (PubChem CID 91238174) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-3H-1-benzazepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-3H-1-benzazepine
PubChem CID91238174
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6,7,8,9-tetrahydro-3H-1-benzazepine
SMILESC1=CC2=C(CCCC2)N=CC1
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3,6,8H,1-2,4-5,7H2
InChIKeyKMDPTWUPUHCDEH-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroquinoline
CID 94356
3,4,5,6-Tetrahydroquinoline
CID 54214651
Dihydrodibenzazepine
CID 87126010
1,4,5,6-Tetrahydrocyclopenta[e]indole
CID 21423164
4H-cyclohepta[c]pyridine
CID 57168320
3-Azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene
CID 57322998
8-cyclohex-2-en-1-ylidene-3H-azocine
CID 57325378
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
CID 89227123
3,6,7,8-Tetrahydrocyclopenta[b]azepine
CID 89373567
2,7,8,9-Tetrahydrobenzo[f]quinoline
CID 90915036
3,4,8,9-tetrahydro-2H-cyclohepta[b]pyridine
CID 91263231

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-3H-1-benzazepine?
The IUPAC name of 6,7,8,9-tetrahydro-3H-1-benzazepine (CID 91238174) is 6,7,8,9-tetrahydro-3H-1-benzazepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-3H-1-benzazepine?
The canonical SMILES for 6,7,8,9-tetrahydro-3H-1-benzazepine is C1=CC2=C(CCCC2)N=CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-3H-1-benzazepine?
The InChIKey is KMDPTWUPUHCDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 6,7,8,9-tetrahydro-3H-1-benzazepine?
6,7,8,9-tetrahydro-3H-1-benzazepine has a molecular weight of 147.22 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 6,7,8,9-tetrahydro-3H-1-benzazepine is sourced from PubChem (CID 91238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).