2-[3-(methylamino)prop-1-enyl]-6-nitrophenol

C10H12N2O3 — CID 169474040

IUPAC2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
SMILESCNCC=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H12N2O3/c1-11-7-3-5-8-4-2-6-9(10(8)13)12(14)15/h2-6,11,13H,7H2,1H3
InChIKeyLZAPRDMQENZLEI-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.53
Rot. Bonds4

About 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol

2-[3-(methylamino)prop-1-enyl]-6-nitrophenol (PubChem CID 169474040) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
PubChem CID169474040
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
SMILESCNCC=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H12N2O3/c1-11-7-3-5-8-4-2-6-9(10(8)13)12(14)15/h2-6,11,13H,7H2,1H3
InChIKeyLZAPRDMQENZLEI-UHFFFAOYSA-N
XLogP1.53
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
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'}

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Related Compounds

methyl 4-(2-hydroxy-3-nitrophenyl)but-3-enoate
CID 170501357
4-(2-hydroxy-3-nitrophenyl)but-3-enoic acid
CID 170484016
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
3-(2-hydroxy-3-nitrophenyl)prop-2-enoic acid
CID 53401649
4-(2-fluoro-3-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496164
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
3-(2-hydroxy-3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 71324009
2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
CID 169474036
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
2-nitro-6-(propyliminomethyl)phenol
CID 136693324
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol (CID 169474040) is 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol is CNCC=Cc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol?
The InChIKey is LZAPRDMQENZLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-7-3-5-8-4-2-6-9(10(8)13)12(14)15/h2-6,11,13H,7H2,1H3.
What are the key properties of 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol?
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol has a molecular weight of 208.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]-6-nitrophenol is sourced from PubChem (CID 169474040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).