2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene

C20H18S — CID 67040032

IUPAC2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene
SMILESCC1=Cc2ccccc2C1CC1=CC(c2cccs2)=CC1
InChIInChI=1S/C20H18S/c1-14-11-16-5-2-3-6-18(16)19(14)13-15-8-9-17(12-15)20-7-4-10-21-20/h2-7,9-12,19H,8,13H2,1H3
InChIKeyINGALFBGFUHQBS-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.05
Rot. Bonds3

About 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene

2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene (PubChem CID 67040032) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene.

Molecular Properties

Compound Name2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene
PubChem CID67040032
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene
SMILESCC1=Cc2ccccc2C1CC1=CC(c2cccs2)=CC1
InChIInChI=1S/C20H18S/c1-14-11-16-5-2-3-6-18(16)19(14)13-15-8-9-17(12-15)20-7-4-10-21-20/h2-7,9-12,19H,8,13H2,1H3
InChIKeyINGALFBGFUHQBS-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene?
The IUPAC name of 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene (CID 67040032) is 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene.
What is the SMILES notation for 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene?
The canonical SMILES for 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene is CC1=Cc2ccccc2C1CC1=CC(c2cccs2)=CC1.
What is the InChIKey of 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene?
The InChIKey is INGALFBGFUHQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-14-11-16-5-2-3-6-18(16)19(14)13-15-8-9-17(12-15)20-7-4-10-21-20/h2-7,9-12,19H,8,13H2,1H3.
What are the key properties of 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene?
2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene has a molecular weight of 290.43 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1H-inden-1-yl)methyl]cyclopenta-1,4-dien-1-yl]thiophene is sourced from PubChem (CID 67040032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).