4-methylcyclopenta[c]pyran-7-carbaldehyde

C10H8O2 — CID 594452

IUPAC4-methylcyclopenta[c]pyran-7-carbaldehyde
SMILESCc1cocc2c(C=O)ccc1-2
InChIInChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3
InChIKeyIHEBZQKYPSMVBZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.51
Rot. Bonds1

About 4-methylcyclopenta[c]pyran-7-carbaldehyde

4-methylcyclopenta[c]pyran-7-carbaldehyde (PubChem CID 594452) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-methylcyclopenta[c]pyran-7-carbaldehyde.

Molecular Properties

Compound Name4-methylcyclopenta[c]pyran-7-carbaldehyde
PubChem CID594452
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name4-methylcyclopenta[c]pyran-7-carbaldehyde
SMILESCc1cocc2c(C=O)ccc1-2
InChIInChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3
InChIKeyIHEBZQKYPSMVBZ-UHFFFAOYSA-N
XLogP2.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.51
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 4-methylcyclopenta[c]pyran-7-carbaldehyde?
The IUPAC name of 4-methylcyclopenta[c]pyran-7-carbaldehyde (CID 594452) is 4-methylcyclopenta[c]pyran-7-carbaldehyde.
What is the SMILES notation for 4-methylcyclopenta[c]pyran-7-carbaldehyde?
The canonical SMILES for 4-methylcyclopenta[c]pyran-7-carbaldehyde is Cc1cocc2c(C=O)ccc1-2.
What is the InChIKey of 4-methylcyclopenta[c]pyran-7-carbaldehyde?
The InChIKey is IHEBZQKYPSMVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3.
What are the key properties of 4-methylcyclopenta[c]pyran-7-carbaldehyde?
4-methylcyclopenta[c]pyran-7-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopenta[c]pyran-7-carbaldehyde is sourced from PubChem (CID 594452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).