2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide

C11H13N3O3 — CID 69310846

IUPAC2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide
SMILESNC(=O)CNCC=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O3/c12-11(15)8-13-7-1-2-9-3-5-10(6-4-9)14(16)17/h1-6,13H,7-8H2,(H2,12,15)
InChIKeyJXRMWXPKIWVUFB-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.68
Rot. Bonds6

About 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide

2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide (PubChem CID 69310846) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide.

Molecular Properties

Compound Name2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide
PubChem CID69310846
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide
SMILESNC(=O)CNCC=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O3/c12-11(15)8-13-7-1-2-9-3-5-10(6-4-9)14(16)17/h1-6,13H,7-8H2,(H2,12,15)
InChIKeyJXRMWXPKIWVUFB-UHFFFAOYSA-N
XLogP0.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
3-(4-nitrophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79346825
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
(E)-3-(4-nitrophenyl)prop-2-ene-1-sulfonic acid
CID 132533795
4-(4-nitrophenyl)-2-oxobut-3-enoic acid
CID 71363247
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949
1-[(E)-2-hydroxysulfanylethenyl]-4-nitrobenzene
CID 143668181
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide?
The IUPAC name of 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide (CID 69310846) is 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide.
What is the SMILES notation for 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide?
The canonical SMILES for 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide is NC(=O)CNCC=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide?
The InChIKey is JXRMWXPKIWVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-11(15)8-13-7-1-2-9-3-5-10(6-4-9)14(16)17/h1-6,13H,7-8H2,(H2,12,15).
What are the key properties of 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide?
2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide has a molecular weight of 235.24 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-nitrophenyl)prop-2-enylamino]acetamide is sourced from PubChem (CID 69310846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).