1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one

C11H11FN2O2 — CID 166417494

IUPAC1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
SMILESC=C(F)C(=O)N1CCCc2cc[nH]c(=O)c21
InChIInChI=1S/C11H11FN2O2/c1-7(12)11(16)14-6-2-3-8-4-5-13-10(15)9(8)14/h4-5H,1-3,6H2,(H,13,15)
InChIKeyMZOLLXDYTINECI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.14
Rot. Bonds1

About 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one

1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one (PubChem CID 166417494) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
PubChem CID166417494
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
SMILESC=C(F)C(=O)N1CCCc2cc[nH]c(=O)c21
InChIInChI=1S/C11H11FN2O2/c1-7(12)11(16)14-6-2-3-8-4-5-13-10(15)9(8)14/h4-5H,1-3,6H2,(H,13,15)
InChIKeyMZOLLXDYTINECI-UHFFFAOYSA-N
XLogP1.14
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The IUPAC name of 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one (CID 166417494) is 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The canonical SMILES for 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one is C=C(F)C(=O)N1CCCc2cc[nH]c(=O)c21.
What is the InChIKey of 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The InChIKey is MZOLLXDYTINECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(12)11(16)14-6-2-3-8-4-5-13-10(15)9(8)14/h4-5H,1-3,6H2,(H,13,15).
What are the key properties of 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one has a molecular weight of 222.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 166417494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).