N-(2-methylphenyl)-N-nitrosonitrous amide

C7H7N3O2 — CID 22461816

IUPACN-(2-methylphenyl)-N-nitrosonitrous amide
SMILESCc1ccccc1N(N=O)N=O
InChIInChI=1S/C7H7N3O2/c1-6-4-2-3-5-7(6)10(8-11)9-12/h2-5H,1H3
InChIKeyLTLUXIZJGFNYBN-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.16
Rot. Bonds3

About N-(2-methylphenyl)-N-nitrosonitrous amide

N-(2-methylphenyl)-N-nitrosonitrous amide (PubChem CID 22461816) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-nitrosonitrous amide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-nitrosonitrous amide
PubChem CID22461816
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC NameN-(2-methylphenyl)-N-nitrosonitrous amide
SMILESCc1ccccc1N(N=O)N=O
InChIInChI=1S/C7H7N3O2/c1-6-4-2-3-5-7(6)10(8-11)9-12/h2-5H,1H3
InChIKeyLTLUXIZJGFNYBN-UHFFFAOYSA-N
XLogP2.16
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
1,1-bis(2-methylphenyl)urea
CID 3049256
2-methyl-N,N-bis(trimethylsilyl)aniline
CID 22924503
1,1,2-trimethyl-2-(2-methylphenyl)hydrazine;hydrochloride
CID 117067186
ethane;methylphosphane;N,N,2-trimethylaniline
CID 162765401
(2-methylphenyl)-oxidocarbamic acid
CID 131721115
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
1,2-xylene
CID 173422016
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
2-methyl-N,N-bis[(E)-prop-1-enyl]aniline
CID 142925753
N-methoxy-N-(2-methylphenyl)acetamide
CID 14936359

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-nitrosonitrous amide?
The IUPAC name of N-(2-methylphenyl)-N-nitrosonitrous amide (CID 22461816) is N-(2-methylphenyl)-N-nitrosonitrous amide.
What is the SMILES notation for N-(2-methylphenyl)-N-nitrosonitrous amide?
The canonical SMILES for N-(2-methylphenyl)-N-nitrosonitrous amide is Cc1ccccc1N(N=O)N=O.
What is the InChIKey of N-(2-methylphenyl)-N-nitrosonitrous amide?
The InChIKey is LTLUXIZJGFNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-6-4-2-3-5-7(6)10(8-11)9-12/h2-5H,1H3.
What are the key properties of N-(2-methylphenyl)-N-nitrosonitrous amide?
N-(2-methylphenyl)-N-nitrosonitrous amide has a molecular weight of 165.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-nitrosonitrous amide is sourced from PubChem (CID 22461816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).