2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile

C10H13N3O — CID 83016723

IUPAC2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NN(C)C)c1
InChIInChI=1S/C10H13N3O/c1-13(2)12-10-6-9(14-3)5-4-8(10)7-11/h4-6,12H,1-3H3
InChIKeyDVEHXIPFWQQTLG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.46
Rot. Bonds3

About 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile

2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile (PubChem CID 83016723) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
PubChem CID83016723
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NN(C)C)c1
InChIInChI=1S/C10H13N3O/c1-13(2)12-10-6-9(14-3)5-4-8(10)7-11/h4-6,12H,1-3H3
InChIKeyDVEHXIPFWQQTLG-UHFFFAOYSA-N
XLogP1.46
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxybenzonitrile
CID 81300058
1-cyano-N-(2-cyano-5-methoxyphenyl)methanethioamide
CID 86278747
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
CID 83111910
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile (CID 83016723) is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile is COc1ccc(C#N)c(NN(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile?
The InChIKey is DVEHXIPFWQQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)12-10-6-9(14-3)5-4-8(10)7-11/h4-6,12H,1-3H3.
What are the key properties of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile?
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile is sourced from PubChem (CID 83016723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).