2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile

C15H18N2 — CID 22970446

IUPAC2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2c(C)c(C)c(C)c(C)c2c1CC#N
InChIInChI=1S/C15H18N2/c1-8-9(2)11(4)15-14(10(8)3)13(6-7-16)12(5)17-15/h17H,6H2,1-5H3
InChIKeyUOSBDOMPZPSOOE-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.78
Rot. Bonds1

About 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile

2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile (PubChem CID 22970446) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
PubChem CID22970446
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2c(C)c(C)c(C)c(C)c2c1CC#N
InChIInChI=1S/C15H18N2/c1-8-9(2)11(4)15-14(10(8)3)13(6-7-16)12(5)17-15/h17H,6H2,1-5H3
InChIKeyUOSBDOMPZPSOOE-UHFFFAOYSA-N
XLogP3.78
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
CID 66738785
2-(6-chloro-8-methoxy-2,5-dimethyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82248573
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
2-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110966
[3-(cyanomethyl)-2-methyl-1H-indol-5-yl]-propylcarbamic acid
CID 70391621
2-(6,7-dichloro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82247017
2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile
CID 68950376

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile (CID 22970446) is 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile is Cc1[nH]c2c(C)c(C)c(C)c(C)c2c1CC#N.
What is the InChIKey of 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile?
The InChIKey is UOSBDOMPZPSOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-8-9(2)11(4)15-14(10(8)3)13(6-7-16)12(5)17-15/h17H,6H2,1-5H3.
What are the key properties of 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile?
2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 22970446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).