1-methyl-2,3,3a,4-tetrahydro-1H-indene

C10H14 — CID 18402437

IUPAC1-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1CCC2CC=CC=C12
InChIInChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyPPWUTZVGSFPZOC-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds

About 1-methyl-2,3,3a,4-tetrahydro-1H-indene

1-methyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 18402437) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-methyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID18402437
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1CCC2CC=CC=C12
InChIInChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyPPWUTZVGSFPZOC-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 1-methyl-2,3,3a,4-tetrahydro-1H-indene (CID 18402437) is 1-methyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 1-methyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 1-methyl-2,3,3a,4-tetrahydro-1H-indene is CC1CCC2CC=CC=C12.
What is the InChIKey of 1-methyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is PPWUTZVGSFPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 1-methyl-2,3,3a,4-tetrahydro-1H-indene?
1-methyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 18402437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).