2-cyclohexa-1,3-dien-1-yl-1H-indole

C14H13N — CID 91429074

IUPAC2-cyclohexa-1,3-dien-1-yl-1H-indole
SMILESC1=CCCC(c2cc3ccccc3[nH]2)=C1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-2,4-6,8-10,15H,3,7H2
InChIKeyZJWUAJIVGBQQLM-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.90
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-1H-indole

2-cyclohexa-1,3-dien-1-yl-1H-indole (PubChem CID 91429074) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1H-indole.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-1H-indole
PubChem CID91429074
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name2-cyclohexa-1,3-dien-1-yl-1H-indole
SMILESC1=CCCC(c2cc3ccccc3[nH]2)=C1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-2,4-6,8-10,15H,3,7H2
InChIKeyZJWUAJIVGBQQLM-UHFFFAOYSA-N
XLogP3.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1H-indole?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1H-indole (CID 91429074) is 2-cyclohexa-1,3-dien-1-yl-1H-indole.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1H-indole?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1H-indole is C1=CCCC(c2cc3ccccc3[nH]2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1H-indole?
The InChIKey is ZJWUAJIVGBQQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-2,4-6,8-10,15H,3,7H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1H-indole?
2-cyclohexa-1,3-dien-1-yl-1H-indole has a molecular weight of 195.27 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-1H-indole is sourced from PubChem (CID 91429074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).