2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal

C11H10FNO3 — CID 88882907

IUPAC2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal
SMILESC=C(C=O)Cc1c(F)ccc(OC)c1N=O
InChIInChI=1S/C11H10FNO3/c1-7(6-14)5-8-9(12)3-4-10(16-2)11(8)13-15/h3-4,6H,1,5H2,2H3
InChIKeyMPMWIZKMISHMIE-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.53
Rot. Bonds5

About 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal

2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal (PubChem CID 88882907) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal.

Molecular Properties

Compound Name2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal
PubChem CID88882907
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal
SMILESC=C(C=O)Cc1c(F)ccc(OC)c1N=O
InChIInChI=1S/C11H10FNO3/c1-7(6-14)5-8-9(12)3-4-10(16-2)11(8)13-15/h3-4,6H,1,5H2,2H3
InChIKeyMPMWIZKMISHMIE-UHFFFAOYSA-N
XLogP2.53
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal?
The IUPAC name of 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal (CID 88882907) is 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal.
What is the SMILES notation for 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal?
The canonical SMILES for 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal is C=C(C=O)Cc1c(F)ccc(OC)c1N=O.
What is the InChIKey of 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal?
The InChIKey is MPMWIZKMISHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-7(6-14)5-8-9(12)3-4-10(16-2)11(8)13-15/h3-4,6H,1,5H2,2H3.
What are the key properties of 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal?
2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal has a molecular weight of 223.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-methoxy-2-nitrosophenyl)methyl]prop-2-enal is sourced from PubChem (CID 88882907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).