2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile

C12H12N2 — CID 82490743

IUPAC2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
SMILESCc1cc(C)c2[nH]cc(CC#N)c2c1
InChIInChI=1S/C12H12N2/c1-8-5-9(2)12-11(6-8)10(3-4-13)7-14-12/h5-7,14H,3H2,1-2H3
InChIKeyUFDLQFXVNMCASL-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.85
Rot. Bonds1

About 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile

2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile (PubChem CID 82490743) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
PubChem CID82490743
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
SMILESCc1cc(C)c2[nH]cc(CC#N)c2c1
InChIInChI=1S/C12H12N2/c1-8-5-9(2)12-11(6-8)10(3-4-13)7-14-12/h5-7,14H,3H2,1-2H3
InChIKeyUFDLQFXVNMCASL-UHFFFAOYSA-N
XLogP2.85
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
CID 82491993
3-iodo-5,7-dimethyl-1H-indole
CID 15247557
3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674980
2-(2-fluoro-3,5-dimethylphenyl)acetonitrile
CID 84764644
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-(4-bromo-7-methyl-1H-indol-3-yl)acetonitrile
CID 130049663
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile (CID 82490743) is 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile is Cc1cc(C)c2[nH]cc(CC#N)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile?
The InChIKey is UFDLQFXVNMCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-8-5-9(2)12-11(6-8)10(3-4-13)7-14-12/h5-7,14H,3H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile?
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 82490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).