2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile

C10H11N3O2 — CID 84757692

IUPAC2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile
SMILESCN(C)C(C#N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-12(2)10(7-11)8-5-3-4-6-9(8)13(14)15/h3-6,10H,1-2H3
InChIKeyVVDTXRMOOJIJBN-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.72
Rot. Bonds3

About 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile

2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile (PubChem CID 84757692) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile
PubChem CID84757692
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile
SMILESCN(C)C(C#N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-12(2)10(7-11)8-5-3-4-6-9(8)13(14)15/h3-6,10H,1-2H3
InChIKeyVVDTXRMOOJIJBN-UHFFFAOYSA-N
XLogP1.72
TPSA70.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-hydroxyanilino)-2-(2-nitrophenyl)acetonitrile
CID 139593766
2-(N-bromo-2-methylanilino)-2-(2-nitrophenyl)acetonitrile
CID 134935092
2-(N-bromo-4-methylanilino)-2-(2-nitrophenyl)acetonitrile
CID 134935091
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302
2-(N-bromo-4-hydroxyanilino)-2-(2-nitrophenyl)acetonitrile
CID 134935720
2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
CID 84749158
acetonitrile;1,2-dinitrobenzene
CID 174895848
ethyl (2S)-2-cyano-2-(2-nitrophenyl)acetate
CID 6933994
(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
CID 57413320
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
3-amino-2-(2-nitrophenyl)butanoic acid
CID 67114561
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile (CID 84757692) is 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile is CN(C)C(C#N)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile?
The InChIKey is VVDTXRMOOJIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12(2)10(7-11)8-5-3-4-6-9(8)13(14)15/h3-6,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile?
2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile has a molecular weight of 205.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile is sourced from PubChem (CID 84757692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).