2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde

C10H14O — CID 141417454

IUPAC2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
SMILESO=CC1=C2CCCC2CCC1
InChIInChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h7-8H,1-6H2
InChIKeyFJYZKEKPHQJFIP-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds1

About 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde

2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde (PubChem CID 141417454) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
PubChem CID141417454
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
SMILESO=CC1=C2CCCC2CCC1
InChIInChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h7-8H,1-6H2
InChIKeyFJYZKEKPHQJFIP-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
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 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde?
The IUPAC name of 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde (CID 141417454) is 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde?
The canonical SMILES for 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde is O=CC1=C2CCCC2CCC1.
What is the InChIKey of 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde?
The InChIKey is FJYZKEKPHQJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h7-8H,1-6H2.
What are the key properties of 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde?
2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 141417454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).