2,3,3a,7a-tetrahydro-1H-indene

C9H12 — CID 12652500

IUPAC2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CCCC2C=C1
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5,8-9H,3,6-7H2
InChIKeySMBYEXNJVNACSW-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds

About 2,3,3a,7a-tetrahydro-1H-indene

2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 12652500) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-indene
PubChem CID12652500
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CCCC2C=C1
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5,8-9H,3,6-7H2
InChIKeySMBYEXNJVNACSW-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-indene (CID 12652500) is 2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-indene is C1=CC2CCCC2C=C1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is SMBYEXNJVNACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5,8-9H,3,6-7H2.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-indene?
2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 120.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 12652500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).