1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene

C14H14 — CID 87773412

IUPAC1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
SMILESC1=CCC(C2CCc3ccccc32)=C1
InChIInChI=1S/C14H14/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14/h1-5,7-8,14H,6,9-10H2
InChIKeyXAIRAUTZOZYMMN-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.60
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene

1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene (PubChem CID 87773412) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
PubChem CID87773412
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
SMILESC1=CCC(C2CCc3ccccc32)=C1
InChIInChI=1S/C14H14/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14/h1-5,7-8,14H,6,9-10H2
InChIKeyXAIRAUTZOZYMMN-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine
CID 91593715
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
4a,9-dihydro-4H-fluorene
CID 123273632
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
CID 14401683
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
CID 91299044
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene (CID 87773412) is 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene is C1=CCC(C2CCc3ccccc32)=C1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene?
The InChIKey is XAIRAUTZOZYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14/h1-5,7-8,14H,6,9-10H2.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene?
1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene has a molecular weight of 182.27 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 87773412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).