1-methyl-2,3-dihydroindene-1-carbaldehyde

C11H12O — CID 88901858

IUPAC1-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC1(C=O)CCc2ccccc21
InChIInChI=1S/C11H12O/c1-11(8-12)7-6-9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3
InChIKeyIZEBRYSUNDNECT-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds1

About 1-methyl-2,3-dihydroindene-1-carbaldehyde

1-methyl-2,3-dihydroindene-1-carbaldehyde (PubChem CID 88901858) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2,3-dihydroindene-1-carbaldehyde
PubChem CID88901858
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC1(C=O)CCc2ccccc21
InChIInChI=1S/C11H12O/c1-11(8-12)7-6-9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3
InChIKeyIZEBRYSUNDNECT-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
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 1-methyl-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 1-methyl-2,3-dihydroindene-1-carbaldehyde (CID 88901858) is 1-methyl-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 1-methyl-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 1-methyl-2,3-dihydroindene-1-carbaldehyde is CC1(C=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is IZEBRYSUNDNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-11(8-12)7-6-9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-methyl-2,3-dihydroindene-1-carbaldehyde?
1-methyl-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 160.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 88901858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).