1-methyl-5-propan-2-yl-1H-indene

C13H16 — CID 140666479

IUPAC1-methyl-5-propan-2-yl-1H-indene
SMILESCC(C)c1ccc2c(c1)C=CC2C
InChIInChI=1S/C13H16/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h4-10H,1-3H3
InChIKeyAOOLHXRYNWHFJP-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.94
Rot. Bonds1

About 1-methyl-5-propan-2-yl-1H-indene

1-methyl-5-propan-2-yl-1H-indene (PubChem CID 140666479) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-1H-indene.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-1H-indene
PubChem CID140666479
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-5-propan-2-yl-1H-indene
SMILESCC(C)c1ccc2c(c1)C=CC2C
InChIInChI=1S/C13H16/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h4-10H,1-3H3
InChIKeyAOOLHXRYNWHFJP-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-1H-indene?
The IUPAC name of 1-methyl-5-propan-2-yl-1H-indene (CID 140666479) is 1-methyl-5-propan-2-yl-1H-indene.
What is the SMILES notation for 1-methyl-5-propan-2-yl-1H-indene?
The canonical SMILES for 1-methyl-5-propan-2-yl-1H-indene is CC(C)c1ccc2c(c1)C=CC2C.
What is the InChIKey of 1-methyl-5-propan-2-yl-1H-indene?
The InChIKey is AOOLHXRYNWHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h4-10H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-1H-indene?
1-methyl-5-propan-2-yl-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-1H-indene is sourced from PubChem (CID 140666479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).