3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde

C10H12O — CID 174827968

IUPAC3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
SMILESO=CC1=C2CCC=C2CCC1
InChIInChI=1S/C10H12O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h4,7H,1-3,5-6H2
InChIKeyMTBVRQAOMQEOBF-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.39
Rot. Bonds1

About 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde

3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde (PubChem CID 174827968) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
PubChem CID174827968
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
SMILESO=CC1=C2CCC=C2CCC1
InChIInChI=1S/C10H12O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h4,7H,1-3,5-6H2
InChIKeyMTBVRQAOMQEOBF-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.39
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 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde?
The IUPAC name of 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde (CID 174827968) is 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde is O=CC1=C2CCC=C2CCC1.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde?
The InChIKey is MTBVRQAOMQEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h4,7H,1-3,5-6H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde?
3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde has a molecular weight of 148.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde is sourced from PubChem (CID 174827968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).