5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde

C15H13NO — CID 872028

IUPAC5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde
SMILESO=CN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C15H13NO/c17-11-16-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-16/h1-8,11H,9-10H2
InChIKeyLSPRUQXPQKPRDQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.83
Rot. Bonds1

About 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde

5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde (PubChem CID 872028) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde.

Molecular Properties

Compound Name5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde
PubChem CID872028
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde
SMILESO=CN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C15H13NO/c17-11-16-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-16/h1-8,11H,9-10H2
InChIKeyLSPRUQXPQKPRDQ-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Azapetine
CID 8966
n,n-Dibenzylformamide
CID 221415
5-Benzyl-2-(cyclohexylmethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 68570864
5H-Dibenz(c,e)azepine, 6,7-dihydro-
CID 81183
6,7-Dihydro-6-methyl-5H-dibenz(c,e)azepine
CID 118793
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
4-[(2-methylphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-5-one
CID 44169938
4-[(2-Methylphenyl)methyl]-1-(3-phenylprop-2-enyl)-1,4-diazepan-5-one
CID 52944173
Formamide, N-(10,11-dihydro-5H-dibenzo(a,d)-cyclohepten-5-yl)-
CID 256815
6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine
CID 94019
5H-Dibenz(c,e)azepine, 6-benzyl-6,7-dihydro-
CID 94020
6-Cyclohexyl-5,7-dihydrobenzo[d][2]benzazepine
CID 115856

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde?
The IUPAC name of 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde (CID 872028) is 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde.
What is the SMILES notation for 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde?
The canonical SMILES for 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde is O=CN1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde?
The InChIKey is LSPRUQXPQKPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-11-16-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-16/h1-8,11H,9-10H2.
What are the key properties of 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde?
5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrobenzo[d][2]benzazepine-6-carbaldehyde is sourced from PubChem (CID 872028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).