2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde

C9H10O2 — CID 130026549

IUPAC2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde
SMILESO=CC1=C2OCCCC2=CC1
InChIInChI=1S/C9H10O2/c10-6-8-4-3-7-2-1-5-11-9(7)8/h3,6H,1-2,4-5H2
InChIKeyYKSARZSNUGNYFK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds1

About 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde

2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde (PubChem CID 130026549) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde.

Molecular Properties

Compound Name2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde
PubChem CID130026549
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde
SMILESO=CC1=C2OCCCC2=CC1
InChIInChI=1S/C9H10O2/c10-6-8-4-3-7-2-1-5-11-9(7)8/h3,6H,1-2,4-5H2
InChIKeyYKSARZSNUGNYFK-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Prop-2-enoxycyclohexa-1,5-diene-1-carbaldehyde
CID 89093142
4-Prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 89093143
2-Cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 90897305
3,5-dihydro-2H-1-benzofuran-4-one
CID 140574378
2,3,4,7-Tetrahydrochromen-6-one
CID 140967326
2,3,4,8-Tetrahydrocyclohepta[b]pyran-8-carbaldehyde
CID 143309985
2,4-Dimethoxycyclohexa-1,3-diene-1-carbaldehyde
CID 144849673
2,3,4,6-Tetrahydrochromen-7-one
CID 153767547
3,4-Dimethoxycyclohexa-1,3-diene-1-carbaldehyde
CID 154533883
7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium
CID 160876405
6-methyl-4-oxo-2H-1-benzofuran-3-carbaldehyde
CID 163210731
Cyclopenta[f]chromene-5-carbaldehyde
CID 176900277

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde?
The IUPAC name of 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde (CID 130026549) is 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde.
What is the SMILES notation for 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde?
The canonical SMILES for 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde is O=CC1=C2OCCCC2=CC1.
What is the InChIKey of 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde?
The InChIKey is YKSARZSNUGNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-6-8-4-3-7-2-1-5-11-9(7)8/h3,6H,1-2,4-5H2.
What are the key properties of 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde?
2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrocyclopenta[b]pyran-7-carbaldehyde is sourced from PubChem (CID 130026549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).