N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide

C12H14N2O4 — CID 2932234

IUPACN-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14N2O4/c1-8-7-9(14(16)17)4-5-10(8)13-12(15)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3,(H,13,15)
InChIKeyRWZRJWJDLSYVMW-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.02
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide

N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide (PubChem CID 2932234) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide
PubChem CID2932234
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14N2O4/c1-8-7-9(14(16)17)4-5-10(8)13-12(15)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3,(H,13,15)
InChIKeyRWZRJWJDLSYVMW-UHFFFAOYSA-N
XLogP2.02
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide (CID 2932234) is N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide?
The InChIKey is RWZRJWJDLSYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8-7-9(14(16)17)4-5-10(8)13-12(15)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide?
N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).