N-(2-methyl-4-nitrophenyl)prop-2-enamide

C10H10N2O3 — CID 43699406

IUPACN-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H10N2O3/c1-3-10(13)11-9-5-4-8(12(14)15)6-7(9)2/h3-6H,1H2,2H3,(H,11,13)
InChIKeyZPOWCDRJYBRWRR-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.03
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)prop-2-enamide

N-(2-methyl-4-nitrophenyl)prop-2-enamide (PubChem CID 43699406) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)prop-2-enamide
PubChem CID43699406
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H10N2O3/c1-3-10(13)11-9-5-4-8(12(14)15)6-7(9)2/h3-6H,1H2,2H3,(H,11,13)
InChIKeyZPOWCDRJYBRWRR-UHFFFAOYSA-N
XLogP2.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
4-nitro-2-(prop-2-enoylamino)benzoic acid
CID 63110805
N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide
CID 70500560
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)prop-2-enamide (CID 43699406) is N-(2-methyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)prop-2-enamide is C=CC(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is ZPOWCDRJYBRWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-10(13)11-9-5-4-8(12(14)15)6-7(9)2/h3-6H,1H2,2H3,(H,11,13).
What are the key properties of N-(2-methyl-4-nitrophenyl)prop-2-enamide?
N-(2-methyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 206.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 43699406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).