2H-1-benzazepine-4-carbaldehyde

C11H9NO — CID 143310013

IUPAC2H-1-benzazepine-4-carbaldehyde
SMILESO=CC1=CCN=c2ccccc2=C1
InChIInChI=1S/C11H9NO/c13-8-9-5-6-12-11-4-2-1-3-10(11)7-9/h1-5,7-8H,6H2
InChIKeyRZLNRDLTBJFUNH-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.23
Rot. Bonds1

About 2H-1-benzazepine-4-carbaldehyde

2H-1-benzazepine-4-carbaldehyde (PubChem CID 143310013) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2H-1-benzazepine-4-carbaldehyde.

Molecular Properties

Compound Name2H-1-benzazepine-4-carbaldehyde
PubChem CID143310013
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2H-1-benzazepine-4-carbaldehyde
SMILESO=CC1=CCN=c2ccccc2=C1
InChIInChI=1S/C11H9NO/c13-8-9-5-6-12-11-4-2-1-3-10(11)7-9/h1-5,7-8H,6H2
InChIKeyRZLNRDLTBJFUNH-UHFFFAOYSA-N
XLogP0.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
CID 89268689
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
2H-indole-3-carbaldehyde
CID 124419033
2,7-dimethyl-2H-azepine-5-carbaldehyde
CID 138509374
N-(4-formylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 141161251
2,3-Dihydroquinoline-4-carbaldehyde
CID 141373523
(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142071750
(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
CID 143052892
2H-1-benzazepine-2-carbaldehyde
CID 143720149
5-Ethenyl-2,3-dihydroquinoline-7-carbaldehyde
CID 144306469
2-(Oxomethylidene)indole-5-carbaldehyde
CID 150437991
(E)-2-ethenyl-3-methyl-4-methyliminopent-2-enal
CID 163681613

Frequently Asked Questions

What is the IUPAC name of 2H-1-benzazepine-4-carbaldehyde?
The IUPAC name of 2H-1-benzazepine-4-carbaldehyde (CID 143310013) is 2H-1-benzazepine-4-carbaldehyde.
What is the SMILES notation for 2H-1-benzazepine-4-carbaldehyde?
The canonical SMILES for 2H-1-benzazepine-4-carbaldehyde is O=CC1=CCN=c2ccccc2=C1.
What is the InChIKey of 2H-1-benzazepine-4-carbaldehyde?
The InChIKey is RZLNRDLTBJFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-8-9-5-6-12-11-4-2-1-3-10(11)7-9/h1-5,7-8H,6H2.
What are the key properties of 2H-1-benzazepine-4-carbaldehyde?
2H-1-benzazepine-4-carbaldehyde has a molecular weight of 171.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzazepine-4-carbaldehyde is sourced from PubChem (CID 143310013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).