3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole

C16H17N — CID 137287643

IUPAC3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(C(C)C3=CCC=C3)c12
InChIInChI=1S/C16H17N/c1-11-6-5-9-15-16(11)14(10-17-15)12(2)13-7-3-4-8-13/h3,5-10,12,17H,4H2,1-2H3
InChIKeyYBCWAOUQBDVXKG-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.47
Rot. Bonds2

About 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole

3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole (PubChem CID 137287643) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole.

Molecular Properties

Compound Name3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole
PubChem CID137287643
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(C(C)C3=CCC=C3)c12
InChIInChI=1S/C16H17N/c1-11-6-5-9-15-16(11)14(10-17-15)12(2)13-7-3-4-8-13/h3,5-10,12,17H,4H2,1-2H3
InChIKeyYBCWAOUQBDVXKG-UHFFFAOYSA-N
XLogP4.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-4-methyl-1H-indole
CID 137278057
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
3-methyl-4-propan-2-yl-1H-indole
CID 142488673
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
CID 22555570
3,4-dimethyl-1H-indole;ethane
CID 143293593
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
CID 171867517
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
4-butan-2-yl-3-methyl-1H-indole
CID 123926805
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole?
The IUPAC name of 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole (CID 137287643) is 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole.
What is the SMILES notation for 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole?
The canonical SMILES for 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole is Cc1cccc2[nH]cc(C(C)C3=CCC=C3)c12.
What is the InChIKey of 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole?
The InChIKey is YBCWAOUQBDVXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-6-5-9-15-16(11)14(10-17-15)12(2)13-7-3-4-8-13/h3,5-10,12,17H,4H2,1-2H3.
What are the key properties of 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole?
3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole has a molecular weight of 223.32 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole is sourced from PubChem (CID 137287643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).