2-[3-(methylamino)prop-1-enyl]-4-nitrophenol

C10H12N2O3 — CID 169474036

IUPAC2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
SMILESCNCC=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H12N2O3/c1-11-6-2-3-8-7-9(12(14)15)4-5-10(8)13/h2-5,7,11,13H,6H2,1H3
InChIKeyCTPHYNONZYIWMH-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.53
Rot. Bonds4

About 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol

2-[3-(methylamino)prop-1-enyl]-4-nitrophenol (PubChem CID 169474036) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
PubChem CID169474036
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
SMILESCNCC=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H12N2O3/c1-11-6-2-3-8-7-9(12(14)15)4-5-10(8)13/h2-5,7,11,13H,6H2,1H3
InChIKeyCTPHYNONZYIWMH-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

2-(3-bromoprop-1-enyl)-4-nitrophenol
CID 169475913
(Z)-4-(2-hydroxy-5-nitrophenyl)but-3-en-2-one
CID 92531331
iron(3+);bis(2-[2-(methylamino)ethyliminomethyl]-4-nitrophenol)
CID 135459871
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
CID 169474370
(2-hydroxy-5-nitrophenyl)methylidene-(methylcarbamothioylamino)azanium
CID 3474593
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
CID 169474040
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-nitrophenol
CID 118720095
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
2-[[(2S,3S)-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1,4-dimethoxybutan-2-yl]iminomethyl]-4-nitrophenol
CID 135496238
4-(2-ethoxy-5-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496645
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
2-ethyl-5-nitrophenol
CID 18980077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol (CID 169474036) is 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol is CNCC=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol?
The InChIKey is CTPHYNONZYIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-6-2-3-8-7-9(12(14)15)4-5-10(8)13/h2-5,7,11,13H,6H2,1H3.
What are the key properties of 2-[3-(methylamino)prop-1-enyl]-4-nitrophenol?
2-[3-(methylamino)prop-1-enyl]-4-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]-4-nitrophenol is sourced from PubChem (CID 169474036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).