4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene

C11H16 — CID 87376967

IUPAC4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=C2CCCC2C(C)C=C1
InChIInChI=1S/C11H16/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-8,10H,3-5H2,1-2H3
InChIKeyNXPRLVQSHSLVEF-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds

About 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene

4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 87376967) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID87376967
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=C2CCCC2C(C)C=C1
InChIInChI=1S/C11H16/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-8,10H,3-5H2,1-2H3
InChIKeyNXPRLVQSHSLVEF-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 89142716
6-methylbicyclo[3.2.0]hept-1(7)-ene
CID 143301654
ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 145030095
3-methyl-3,3a,5,6,7,7a-hexahydroinden-4-one
CID 12723384
6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol
CID 145414627
5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
CID 140627112
1,3-dimethyl-1,4,5,6,7,7a-hexahydro-2-benzothiophene
CID 134526742
(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 70355900
1,2,3,3a,6,7,8,8b-octahydro-as-indacene
CID 140735551
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene
CID 178126161
ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
CID 142063012

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene (CID 87376967) is 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene is CC1=C2CCCC2C(C)C=C1.
What is the InChIKey of 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is NXPRLVQSHSLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 87376967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).