ethynylbenzene;6-methyl-1H-indole

C17H15N — CID 174935936

IUPACethynylbenzene;6-methyl-1H-indole
SMILESC#Cc1ccccc1.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9N.C8H6/c1-7-2-3-8-4-5-10-9(8)6-7;1-2-8-6-4-3-5-7-8/h2-6,10H,1H3;1,3-7H
InChIKeyTZAVQRVCXCSZKE-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.14
Rot. Bonds

About ethynylbenzene;6-methyl-1H-indole

ethynylbenzene;6-methyl-1H-indole (PubChem CID 174935936) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is ethynylbenzene;6-methyl-1H-indole.

Molecular Properties

Compound Nameethynylbenzene;6-methyl-1H-indole
PubChem CID174935936
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Nameethynylbenzene;6-methyl-1H-indole
SMILESC#Cc1ccccc1.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9N.C8H6/c1-7-2-3-8-4-5-10-9(8)6-7;1-2-8-6-4-3-5-7-8/h2-6,10H,1H3;1,3-7H
InChIKeyTZAVQRVCXCSZKE-UHFFFAOYSA-N
XLogP4.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

hydron;6-methyl-1H-indole
CID 174894355
1H-indole;2-methylnaphthalene
CID 20520049
(1,2-13C2)ethynylbenzene
CID 71309164
ethynylbenzene fluoride
CID 139243604
ethynylbenzene;stibane
CID 175292724
acetic acid;1H-indole-6-carbonitrile
CID 175244295
3-(1H-indol-6-yl)prop-2-yn-1-ol
CID 169485137
6-(3-methylbut-1-ynyl)-1H-indole
CID 118687565
ethane;1H-indole-6-carboxylic acid
CID 142472960
ethynylbenzene;4-methylbenzoic acid
CID 174779581
bis(1H-indole);methanol
CID 70305490
ethane;1H-indole;methane
CID 169425426

Frequently Asked Questions

What is the IUPAC name of ethynylbenzene;6-methyl-1H-indole?
The IUPAC name of ethynylbenzene;6-methyl-1H-indole (CID 174935936) is ethynylbenzene;6-methyl-1H-indole.
What is the SMILES notation for ethynylbenzene;6-methyl-1H-indole?
The canonical SMILES for ethynylbenzene;6-methyl-1H-indole is C#Cc1ccccc1.Cc1ccc2cc[nH]c2c1.
What is the InChIKey of ethynylbenzene;6-methyl-1H-indole?
The InChIKey is TZAVQRVCXCSZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C8H6/c1-7-2-3-8-4-5-10-9(8)6-7;1-2-8-6-4-3-5-7-8/h2-6,10H,1H3;1,3-7H.
What are the key properties of ethynylbenzene;6-methyl-1H-indole?
ethynylbenzene;6-methyl-1H-indole has a molecular weight of 233.31 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynylbenzene;6-methyl-1H-indole is sourced from PubChem (CID 174935936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).