N-methyl-2-nitro-5-prop-2-enoxyaniline

C10H12N2O3 — CID 67485059

IUPACN-methyl-2-nitro-5-prop-2-enoxyaniline
SMILESC=CCOc1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C10H12N2O3/c1-3-6-15-8-4-5-10(12(13)14)9(7-8)11-2/h3-5,7,11H,1,6H2,2H3
InChIKeyYVIZPWHFAQBSPH-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-2-nitro-5-prop-2-enoxyaniline

N-methyl-2-nitro-5-prop-2-enoxyaniline (PubChem CID 67485059) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-methyl-2-nitro-5-prop-2-enoxyaniline.

Molecular Properties

Compound NameN-methyl-2-nitro-5-prop-2-enoxyaniline
PubChem CID67485059
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-methyl-2-nitro-5-prop-2-enoxyaniline
SMILESC=CCOc1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C10H12N2O3/c1-3-6-15-8-4-5-10(12(13)14)9(7-8)11-2/h3-5,7,11H,1,6H2,2H3
InChIKeyYVIZPWHFAQBSPH-UHFFFAOYSA-N
XLogP2.20
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-1-nitro-4-prop-2-enoxybenzene
CID 14239229
1-nitro-2,4-bis(prop-2-enoxy)benzene
CID 46210791
1-methyl-2-nitro-4-prop-2-enoxybenzene
CID 66739699
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
3-N-methyl-4-nitrobenzene-1,3-diamine
CID 54558907
tert-butyl N-methyl-N-(2-nitro-5-prop-2-enoxyphenyl)carbamate
CID 139987937
[2-methyl-1-(2-nitro-5-prop-2-enoxyphenyl)propan-2-yl] carbamate
CID 174384781
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
4-nitro-3-prop-2-enoxybenzonitrile
CID 15549374
N-methyl-2-nitro-4-(pyridin-4-ylmethoxy)aniline
CID 66623516
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
2-methyl-3-nitro-N-[[4-(4-prop-2-enoxyphenoxy)phenyl]methyl]aniline
CID 18511936

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-5-prop-2-enoxyaniline?
The IUPAC name of N-methyl-2-nitro-5-prop-2-enoxyaniline (CID 67485059) is N-methyl-2-nitro-5-prop-2-enoxyaniline.
What is the SMILES notation for N-methyl-2-nitro-5-prop-2-enoxyaniline?
The canonical SMILES for N-methyl-2-nitro-5-prop-2-enoxyaniline is C=CCOc1ccc([N+](=O)[O-])c(NC)c1.
What is the InChIKey of N-methyl-2-nitro-5-prop-2-enoxyaniline?
The InChIKey is YVIZPWHFAQBSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-6-15-8-4-5-10(12(13)14)9(7-8)11-2/h3-5,7,11H,1,6H2,2H3.
What are the key properties of N-methyl-2-nitro-5-prop-2-enoxyaniline?
N-methyl-2-nitro-5-prop-2-enoxyaniline has a molecular weight of 208.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-5-prop-2-enoxyaniline is sourced from PubChem (CID 67485059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).