(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal

C9H7NO3 — CID 87199505

IUPAC(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal
SMILESO=C/C(O)=C/c1ccc(N=O)cc1
InChIInChI=1S/C9H7NO3/c11-6-9(12)5-7-1-3-8(10-13)4-2-7/h1-6,12H/b9-5-
InChIKeyMWKIMHDLTYMYMR-UITAMQMPSA-N
MW177.16 g/mol
LogP2.18
Rot. Bonds3

About (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal

(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal (PubChem CID 87199505) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal
PubChem CID87199505
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal
SMILESO=C/C(O)=C/c1ccc(N=O)cc1
InChIInChI=1S/C9H7NO3/c11-6-9(12)5-7-1-3-8(10-13)4-2-7/h1-6,12H/b9-5-
InChIKeyMWKIMHDLTYMYMR-UITAMQMPSA-N
XLogP2.18
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal?
The IUPAC name of (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal (CID 87199505) is (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal.
What is the SMILES notation for (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal?
The canonical SMILES for (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal is O=C/C(O)=C/c1ccc(N=O)cc1.
What is the InChIKey of (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal?
The InChIKey is MWKIMHDLTYMYMR-UITAMQMPSA-N. The full InChI is InChI=1S/C9H7NO3/c11-6-9(12)5-7-1-3-8(10-13)4-2-7/h1-6,12H/b9-5-.
What are the key properties of (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal?
(Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal has a molecular weight of 177.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(4-nitrosophenyl)prop-2-enal is sourced from PubChem (CID 87199505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).