N-(3,4-dimethylphenyl)-N-methylnitrous amide

C9H12N2O — CID 122378533

IUPACN-(3,4-dimethylphenyl)-N-methylnitrous amide
SMILESCc1ccc(N(C)N=O)cc1C
InChIInChI=1S/C9H12N2O/c1-7-4-5-9(6-8(7)2)11(3)10-12/h4-6H,1-3H3
InChIKeyPEJDQKBKGWLGAK-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.42
Rot. Bonds2

About N-(3,4-dimethylphenyl)-N-methylnitrous amide

N-(3,4-dimethylphenyl)-N-methylnitrous amide (PubChem CID 122378533) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-methylnitrous amide
PubChem CID122378533
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(3,4-dimethylphenyl)-N-methylnitrous amide
SMILESCc1ccc(N(C)N=O)cc1C
InChIInChI=1S/C9H12N2O/c1-7-4-5-9(6-8(7)2)11(3)10-12/h4-6H,1-3H3
InChIKeyPEJDQKBKGWLGAK-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-methylnitrous amide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-methylnitrous amide (CID 122378533) is N-(3,4-dimethylphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-methylnitrous amide is Cc1ccc(N(C)N=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-methylnitrous amide?
The InChIKey is PEJDQKBKGWLGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-5-9(6-8(7)2)11(3)10-12/h4-6H,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-methylnitrous amide?
N-(3,4-dimethylphenyl)-N-methylnitrous amide has a molecular weight of 164.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-methylnitrous amide is sourced from PubChem (CID 122378533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).