3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide

C15H11N3O5 — CID 135510390

IUPAC3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
SMILESO=NC(C(=O)Nc1ccccc1)=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14(10-6-8-12(9-7-10)18(22)23)13(17-21)15(20)16-11-4-2-1-3-5-11/h1-9,19H,(H,16,20)
InChIKeySUWHWCPJFQZQEL-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.23
Rot. Bonds5

About 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide

3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide (PubChem CID 135510390) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
PubChem CID135510390
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
SMILESO=NC(C(=O)Nc1ccccc1)=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14(10-6-8-12(9-7-10)18(22)23)13(17-21)15(20)16-11-4-2-1-3-5-11/h1-9,19H,(H,16,20)
InChIKeySUWHWCPJFQZQEL-UHFFFAOYSA-N
XLogP3.23
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
N-[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 1358748
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
[(4-nitrobenzoyl)amino] (Z)-3-anilinobut-2-enoate
CID 18530201
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
CID 5091426

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide?
The IUPAC name of 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide (CID 135510390) is 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide.
What is the SMILES notation for 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide?
The canonical SMILES for 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide is O=NC(C(=O)Nc1ccccc1)=C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide?
The InChIKey is SUWHWCPJFQZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-14(10-6-8-12(9-7-10)18(22)23)13(17-21)15(20)16-11-4-2-1-3-5-11/h1-9,19H,(H,16,20).
What are the key properties of 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide?
3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide has a molecular weight of 313.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide is sourced from PubChem (CID 135510390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).