(2-methyl-3-nitrophenyl)urea

C8H9N3O3 — CID 22416531

IUPAC(2-methyl-3-nitrophenyl)urea
SMILESCc1c(NC(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5-6(10-8(9)12)3-2-4-7(5)11(13)14/h2-4H,1H3,(H3,9,10,12)
InChIKeyZQADMVCRNRCDRN-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.39
Rot. Bonds2

About (2-methyl-3-nitrophenyl)urea

(2-methyl-3-nitrophenyl)urea (PubChem CID 22416531) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is (2-methyl-3-nitrophenyl)urea.

Molecular Properties

Compound Name(2-methyl-3-nitrophenyl)urea
PubChem CID22416531
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name(2-methyl-3-nitrophenyl)urea
SMILESCc1c(NC(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5-6(10-8(9)12)3-2-4-7(5)11(13)14/h2-4H,1H3,(H3,9,10,12)
InChIKeyZQADMVCRNRCDRN-UHFFFAOYSA-N
XLogP1.39
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
2-(carbamoylamino)-3-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 56777668
2-(2-methyl-3-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168600567
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-nitrophenyl)urea?
The IUPAC name of (2-methyl-3-nitrophenyl)urea (CID 22416531) is (2-methyl-3-nitrophenyl)urea.
What is the SMILES notation for (2-methyl-3-nitrophenyl)urea?
The canonical SMILES for (2-methyl-3-nitrophenyl)urea is Cc1c(NC(N)=O)cccc1[N+](=O)[O-].
What is the InChIKey of (2-methyl-3-nitrophenyl)urea?
The InChIKey is ZQADMVCRNRCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5-6(10-8(9)12)3-2-4-7(5)11(13)14/h2-4H,1H3,(H3,9,10,12).
What are the key properties of (2-methyl-3-nitrophenyl)urea?
(2-methyl-3-nitrophenyl)urea has a molecular weight of 195.18 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-nitrophenyl)urea is sourced from PubChem (CID 22416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).