2,3,4,5-tetrahydro-1H-1-benzazepine

C10H13N — CID 576503

IUPAC2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc2c(c1)CCCCN2
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2
InChIKeyMZBVNYACSSGXID-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.43
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-1-benzazepine

2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 576503) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID576503
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc2c(c1)CCCCN2
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2
InChIKeyMZBVNYACSSGXID-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepine (CID 576503) is 2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-1-benzazepine is c1ccc2c(c1)CCCCN2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is MZBVNYACSSGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-1-benzazepine?
2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 147.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 576503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).