5-methyl-1H-indene-2-carbaldehyde

C11H10O — CID 59074545

IUPAC5-methyl-1H-indene-2-carbaldehyde
SMILESCc1ccc2c(c1)C=C(C=O)C2
InChIInChI=1S/C11H10O/c1-8-2-3-10-5-9(7-12)6-11(10)4-8/h2-4,6-7H,5H2,1H3
InChIKeyNVLOZAXOJJHGJS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds1

About 5-methyl-1H-indene-2-carbaldehyde

5-methyl-1H-indene-2-carbaldehyde (PubChem CID 59074545) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-methyl-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1H-indene-2-carbaldehyde
PubChem CID59074545
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name5-methyl-1H-indene-2-carbaldehyde
SMILESCc1ccc2c(c1)C=C(C=O)C2
InChIInChI=1S/C11H10O/c1-8-2-3-10-5-9(7-12)6-11(10)4-8/h2-4,6-7H,5H2,1H3
InChIKeyNVLOZAXOJJHGJS-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylbutyl)-1H-indene-2-carbaldehyde
CID 159967887
3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde
CID 10199137
2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
CID 90832270
7H-benzo[7]annulene-6,8-dicarbaldehyde
CID 14195628
3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid
CID 57312626
3,6-dimethyl-1,2-dihydronaphthalene;propane
CID 144809006
6-methyl-2-(2-methylpropylidene)-1H-naphthalene
CID 173270126
1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde
CID 105444249
2-(1-isocyanatocyclopropyl)-5-methylbenzaldehyde
CID 117290047
5-methoxy-2-methyl-1H-indene
CID 12616525
3-methyl-9H-thioxanthene 10-oxide
CID 66885365
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indene-2-carbaldehyde?
The IUPAC name of 5-methyl-1H-indene-2-carbaldehyde (CID 59074545) is 5-methyl-1H-indene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1H-indene-2-carbaldehyde?
The canonical SMILES for 5-methyl-1H-indene-2-carbaldehyde is Cc1ccc2c(c1)C=C(C=O)C2.
What is the InChIKey of 5-methyl-1H-indene-2-carbaldehyde?
The InChIKey is NVLOZAXOJJHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-8-2-3-10-5-9(7-12)6-11(10)4-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-methyl-1H-indene-2-carbaldehyde?
5-methyl-1H-indene-2-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indene-2-carbaldehyde is sourced from PubChem (CID 59074545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).