3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole

C20H17N — CID 102035886

IUPAC3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
SMILESC1=CC(C(c2ccccc2)c2c[nH]c3ccccc23)C=C1
InChIInChI=1S/C20H17N/c1-2-8-15(9-3-1)20(16-10-4-5-11-16)18-14-21-19-13-7-6-12-17(18)19/h1-14,16,20-21H
InChIKeyUFASKOFHWHSEST-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.04
Rot. Bonds3

About 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole

3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole (PubChem CID 102035886) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
PubChem CID102035886
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
SMILESC1=CC(C(c2ccccc2)c2c[nH]c3ccccc23)C=C1
InChIInChI=1S/C20H17N/c1-2-8-15(9-3-1)20(16-10-4-5-11-16)18-14-21-19-13-7-6-12-17(18)19/h1-14,16,20-21H
InChIKeyUFASKOFHWHSEST-UHFFFAOYSA-N
XLogP5.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
3-propan-2-yl-1H-indole
CID 12534824
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole?
The IUPAC name of 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole (CID 102035886) is 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole?
The canonical SMILES for 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole is C1=CC(C(c2ccccc2)c2c[nH]c3ccccc23)C=C1.
What is the InChIKey of 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole?
The InChIKey is UFASKOFHWHSEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-2-8-15(9-3-1)20(16-10-4-5-11-16)18-14-21-19-13-7-6-12-17(18)19/h1-14,16,20-21H.
What are the key properties of 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole?
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole has a molecular weight of 271.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole is sourced from PubChem (CID 102035886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).