N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide

C11H12N2O5 — CID 90423542

IUPACN,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
SMILESCON(OC)C(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O5/c1-17-13(18-2)11(14)8-7-9-5-3-4-6-10(9)12(15)16/h3-8H,1-2H3
InChIKeyPZBBKYVVZQJMSF-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.56
Rot. Bonds5

About N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide

N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 90423542) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
PubChem CID90423542
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC NameN,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
SMILESCON(OC)C(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O5/c1-17-13(18-2)11(14)8-7-9-5-3-4-6-10(9)12(15)16/h3-8H,1-2H3
InChIKeyPZBBKYVVZQJMSF-UHFFFAOYSA-N
XLogP1.56
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
2-methyl-2-[methyl-[3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 76949962
(E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 39972247
tert-butyl (Z)-3-(2-nitrophenyl)prop-2-enoate
CID 97303826
(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 18102009
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 115771758
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 76856856
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 72687651
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477

Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide (CID 90423542) is N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide is CON(OC)C(=O)C=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is PZBBKYVVZQJMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-17-13(18-2)11(14)8-7-9-5-3-4-6-10(9)12(15)16/h3-8H,1-2H3.
What are the key properties of N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide?
N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 252.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 90423542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).