9H-benzo[7]annulene-7-carbaldehyde

C12H10O — CID 143210537

IUPAC9H-benzo[7]annulene-7-carbaldehyde
SMILESO=CC1=CCc2ccccc2C=C1
InChIInChI=1S/C12H10O/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7,9H,8H2
InChIKeyGPDMYABAEHIANN-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.38
Rot. Bonds1

About 9H-benzo[7]annulene-7-carbaldehyde

9H-benzo[7]annulene-7-carbaldehyde (PubChem CID 143210537) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 9H-benzo[7]annulene-7-carbaldehyde.

Molecular Properties

Compound Name9H-benzo[7]annulene-7-carbaldehyde
PubChem CID143210537
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name9H-benzo[7]annulene-7-carbaldehyde
SMILESO=CC1=CCc2ccccc2C=C1
InChIInChI=1S/C12H10O/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7,9H,8H2
InChIKeyGPDMYABAEHIANN-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-benzo[7]annulene-7-carbaldehyde?
The IUPAC name of 9H-benzo[7]annulene-7-carbaldehyde (CID 143210537) is 9H-benzo[7]annulene-7-carbaldehyde.
What is the SMILES notation for 9H-benzo[7]annulene-7-carbaldehyde?
The canonical SMILES for 9H-benzo[7]annulene-7-carbaldehyde is O=CC1=CCc2ccccc2C=C1.
What is the InChIKey of 9H-benzo[7]annulene-7-carbaldehyde?
The InChIKey is GPDMYABAEHIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7,9H,8H2.
What are the key properties of 9H-benzo[7]annulene-7-carbaldehyde?
9H-benzo[7]annulene-7-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-benzo[7]annulene-7-carbaldehyde is sourced from PubChem (CID 143210537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).