3-(2-amino-4-nitrophenyl)prop-2-en-1-ol

C9H10N2O3 — CID 169453618

IUPAC3-(2-amino-4-nitrophenyl)prop-2-en-1-ol
SMILESNc1cc([N+](=O)[O-])ccc1C=CCO
InChIInChI=1S/C9H10N2O3/c10-9-6-8(11(13)14)4-3-7(9)2-1-5-12/h1-4,6,12H,5,10H2
InChIKeyDTJPXRXYGUIBLH-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.18
Rot. Bonds3

About 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol

3-(2-amino-4-nitrophenyl)prop-2-en-1-ol (PubChem CID 169453618) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-nitrophenyl)prop-2-en-1-ol
PubChem CID169453618
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(2-amino-4-nitrophenyl)prop-2-en-1-ol
SMILESNc1cc([N+](=O)[O-])ccc1C=CCO
InChIInChI=1S/C9H10N2O3/c10-9-6-8(11(13)14)4-3-7(9)2-1-5-12/h1-4,6,12H,5,10H2
InChIKeyDTJPXRXYGUIBLH-UHFFFAOYSA-N
XLogP1.18
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-(2-amino-4-nitrophenyl)prop-2-ene-1-thiol
CID 169455511
2-(3-aminoprop-1-enyl)-4-nitroaniline
CID 169463865
ethyl 3-(2-amino-4-nitrophenyl)prop-2-enoate
CID 169480615
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
2-amino-4-nitrophenol;ethanol
CID 174857010
ethyl 4-(2-amino-5-nitrophenyl)but-3-enoate
CID 170796488
5-nitro-2-(2-phenylethenyl)aniline;2,4,6-trinitrophenol
CID 2749348
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-nitrophenyl)but-3-enyl]carbamate
CID 170492608
(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol
CID 101211674
5-nitro-2-(3-sulfanylprop-1-enyl)benzoic acid
CID 169456045
1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
2-(3-bromoprop-1-enyl)-4-nitrophenol
CID 169475913

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol (CID 169453618) is 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol is Nc1cc([N+](=O)[O-])ccc1C=CCO.
What is the InChIKey of 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol?
The InChIKey is DTJPXRXYGUIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9-6-8(11(13)14)4-3-7(9)2-1-5-12/h1-4,6,12H,5,10H2.
What are the key properties of 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol?
3-(2-amino-4-nitrophenyl)prop-2-en-1-ol has a molecular weight of 194.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-nitrophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).