2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde

C11H10O2 — CID 175101217

IUPAC2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde
SMILESO=CC1CC=C2C=CC=CC=C2O1
InChIInChI=1S/C11H10O2/c12-8-10-7-6-9-4-2-1-3-5-11(9)13-10/h1-6,8,10H,7H2
InChIKeyXFWFNWUSPFQKBF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.91
Rot. Bonds1

About 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde

2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde (PubChem CID 175101217) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde
PubChem CID175101217
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde
SMILESO=CC1CC=C2C=CC=CC=C2O1
InChIInChI=1S/C11H10O2/c12-8-10-7-6-9-4-2-1-3-5-11(9)13-10/h1-6,8,10H,7H2
InChIKeyXFWFNWUSPFQKBF-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde?
The IUPAC name of 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde (CID 175101217) is 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde.
What is the SMILES notation for 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde?
The canonical SMILES for 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde is O=CC1CC=C2C=CC=CC=C2O1.
What is the InChIKey of 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde?
The InChIKey is XFWFNWUSPFQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-8-10-7-6-9-4-2-1-3-5-11(9)13-10/h1-6,8,10H,7H2.
What are the key properties of 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde?
2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b]pyran-2-carbaldehyde is sourced from PubChem (CID 175101217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).