5,6,7,7a-tetrahydro-1H-indene

C9H12 — CID 11528341

IUPAC5,6,7,7a-tetrahydro-1H-indene
SMILESC1=CC2=CCCCC2C1
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h3-4,6,9H,1-2,5,7H2
InChIKeyFQMVBYFBQXTCOE-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.67
Rot. Bonds

About 5,6,7,7a-tetrahydro-1H-indene

5,6,7,7a-tetrahydro-1H-indene (PubChem CID 11528341) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-1H-indene
PubChem CID11528341
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name5,6,7,7a-tetrahydro-1H-indene
SMILESC1=CC2=CCCCC2C1
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h3-4,6,9H,1-2,5,7H2
InChIKeyFQMVBYFBQXTCOE-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 528761
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CID 21729595
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CID 139918
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CID 57386731
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CID 71403442
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CID 11815339
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CID 91021845
CID 91021845
CID 189981
CID 189981

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-1H-indene?
The IUPAC name of 5,6,7,7a-tetrahydro-1H-indene (CID 11528341) is 5,6,7,7a-tetrahydro-1H-indene.
What is the SMILES notation for 5,6,7,7a-tetrahydro-1H-indene?
The canonical SMILES for 5,6,7,7a-tetrahydro-1H-indene is C1=CC2=CCCCC2C1.
What is the InChIKey of 5,6,7,7a-tetrahydro-1H-indene?
The InChIKey is FQMVBYFBQXTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 5,6,7,7a-tetrahydro-1H-indene?
5,6,7,7a-tetrahydro-1H-indene has a molecular weight of 120.19 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-1H-indene is sourced from PubChem (CID 11528341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).