1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene

C15H18 — CID 140970870

IUPAC1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C15H18/c1-11-10-13-8-4-5-9-14(13)15(11)12-6-2-3-7-12/h2-7,9,11-13,15H,8,10H2,1H3
InChIKeyUPVSTNARIDKKNV-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.89
Rot. Bonds1

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

1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 140970870) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID140970870
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C15H18/c1-11-10-13-8-4-5-9-14(13)15(11)12-6-2-3-7-12/h2-7,9,11-13,15H,8,10H2,1H3
InChIKeyUPVSTNARIDKKNV-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene
CID 140970894
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
CID 140588324
1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene
CID 140970912
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane
CID 140588913
bis(2,3-dimethyl-1,2,7,7a-tetrahydroinden-3-ide);zirconium(4+);dibromide
CID 158135805
2-methyl-2,3,3a,4-tetrahydroindol-1-ide
CID 19835384
(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
CID 58835522
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
(8R)-8-methyl-7-oxabicyclo[4.2.0]octa-1,3-diene
CID 89411945
6-methoxycyclohexa-1,3-dien-1-amine
CID 89029184
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene (CID 140970870) is 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene is CC1CC2CC=CC=C2C1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is UPVSTNARIDKKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-10-13-8-4-5-9-14(13)15(11)12-6-2-3-7-12/h2-7,9,11-13,15H,8,10H2,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene?
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 198.31 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 140970870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).