1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole

C16H17N — CID 173189823

IUPAC1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole
SMILESCC1=CC=C(c2cc3ccccc3n2C)CC1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17(16)2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyQXNQEOBHLWEELC-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.30
Rot. Bonds1

About 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole

1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole (PubChem CID 173189823) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole.

Molecular Properties

Compound Name1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole
PubChem CID173189823
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole
SMILESCC1=CC=C(c2cc3ccccc3n2C)CC1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17(16)2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyQXNQEOBHLWEELC-UHFFFAOYSA-N
XLogP4.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole?
The IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole (CID 173189823) is 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole.
What is the SMILES notation for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole?
The canonical SMILES for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole is CC1=CC=C(c2cc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole?
The InChIKey is QXNQEOBHLWEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17(16)2/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole?
1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole has a molecular weight of 223.32 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole is sourced from PubChem (CID 173189823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).