N-methyl-4-nitro-N-prop-2-enylaniline

C10H12N2O2 — CID 19702684

IUPACN-methyl-4-nitro-N-prop-2-enylaniline
SMILESC=CCN(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O2/c1-3-8-11(2)9-4-6-10(7-5-9)12(13)14/h3-7H,1,8H2,2H3
InChIKeyDPDFEYGTQNULFR-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-4-nitro-N-prop-2-enylaniline

N-methyl-4-nitro-N-prop-2-enylaniline (PubChem CID 19702684) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-methyl-4-nitro-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-methyl-4-nitro-N-prop-2-enylaniline
PubChem CID19702684
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-methyl-4-nitro-N-prop-2-enylaniline
SMILESC=CCN(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O2/c1-3-8-11(2)9-4-6-10(7-5-9)12(13)14/h3-7H,1,8H2,2H3
InChIKeyDPDFEYGTQNULFR-UHFFFAOYSA-N
XLogP2.22
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-4-nitro-N-prop-2-enylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-hexyl-N-methyl-4-nitroaniline
CID 10799823
N-chloro-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 102510477
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
CID 19702708
N-(4-ethoxyphenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100525941
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
2-methyl-4-nitro-N,N-bis(prop-2-enyl)aniline
CID 11379268
2-(N-methyl-4-nitroanilino)ethyl acetate
CID 91724161
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N-(3,4-dichlorophenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100528993
3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
CID 102359684
N-(2-methylpropyl)-N-[4-(4-nitrophenyl)phenyl]nitramide
CID 135083410

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-prop-2-enylaniline?
The IUPAC name of N-methyl-4-nitro-N-prop-2-enylaniline (CID 19702684) is N-methyl-4-nitro-N-prop-2-enylaniline.
What is the SMILES notation for N-methyl-4-nitro-N-prop-2-enylaniline?
The canonical SMILES for N-methyl-4-nitro-N-prop-2-enylaniline is C=CCN(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitro-N-prop-2-enylaniline?
The InChIKey is DPDFEYGTQNULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-8-11(2)9-4-6-10(7-5-9)12(13)14/h3-7H,1,8H2,2H3.
What are the key properties of N-methyl-4-nitro-N-prop-2-enylaniline?
N-methyl-4-nitro-N-prop-2-enylaniline has a molecular weight of 192.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-prop-2-enylaniline is sourced from PubChem (CID 19702684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).