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

C11H12N2O3 — CID 45097641

IUPAC2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H12N2O3/c1-7(2)11(14)12-10-5-4-9(13(15)16)6-8(10)3/h4-6H,1H2,2-3H3,(H,12,14)
InChIKeyRXUFHGAHXFEKSF-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.42
Rot. Bonds3

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

2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide (PubChem CID 45097641) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
PubChem CID45097641
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H12N2O3/c1-7(2)11(14)12-10-5-4-9(13(15)16)6-8(10)3/h4-6H,1H2,2-3H3,(H,12,14)
InChIKeyRXUFHGAHXFEKSF-UHFFFAOYSA-N
XLogP2.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.42
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

N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-methyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 5203706
3-chloro-2,2-dimethyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 55246953
N-chloro-2-methyl-4-nitroaniline
CID 134879883
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 86917891
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
1-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CID 45097641) is 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide is C=C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is RXUFHGAHXFEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(2)11(14)12-10-5-4-9(13(15)16)6-8(10)3/h4-6H,1H2,2-3H3,(H,12,14).
What are the key properties of 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 220.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 45097641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).