1-methyl-2-nitro-4-prop-2-enoxybenzene

C10H11NO3 — CID 66739699

IUPAC1-methyl-2-nitro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO3/c1-3-6-14-9-5-4-8(2)10(7-9)11(12)13/h3-5,7H,1,6H2,2H3
InChIKeyWXMMJAQNTBWQLN-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.47
Rot. Bonds4

About 1-methyl-2-nitro-4-prop-2-enoxybenzene

1-methyl-2-nitro-4-prop-2-enoxybenzene (PubChem CID 66739699) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-methyl-2-nitro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-methyl-2-nitro-4-prop-2-enoxybenzene
PubChem CID66739699
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-methyl-2-nitro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO3/c1-3-6-14-9-5-4-8(2)10(7-9)11(12)13/h3-5,7H,1,6H2,2H3
InChIKeyWXMMJAQNTBWQLN-UHFFFAOYSA-N
XLogP2.47
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
N-methyl-2-nitro-5-prop-2-enoxyaniline
CID 67485059
1-methyl-2-nitro-4-propan-2-yloxybenzene
CID 68969048
2-amino-2-methyl-4-(4-methyl-3-nitrophenoxy)butanenitrile
CID 114252585
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
2-bromo-5-[(4-methyl-3-nitrophenoxy)methyl]thiophene
CID 114252570
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
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitro-4-prop-2-enoxybenzene?
The IUPAC name of 1-methyl-2-nitro-4-prop-2-enoxybenzene (CID 66739699) is 1-methyl-2-nitro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-methyl-2-nitro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-methyl-2-nitro-4-prop-2-enoxybenzene is C=CCOc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 1-methyl-2-nitro-4-prop-2-enoxybenzene?
The InChIKey is WXMMJAQNTBWQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-6-14-9-5-4-8(2)10(7-9)11(12)13/h3-5,7H,1,6H2,2H3.
What are the key properties of 1-methyl-2-nitro-4-prop-2-enoxybenzene?
1-methyl-2-nitro-4-prop-2-enoxybenzene has a molecular weight of 193.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitro-4-prop-2-enoxybenzene is sourced from PubChem (CID 66739699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).