5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one

C13H16N2O4 — CID 166507407

IUPAC5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESO=c1c([N+](=O)[O-])cc(C2CC2)cn1CC1CCOC1
InChIInChI=1S/C13H16N2O4/c16-13-12(15(17)18)5-11(10-1-2-10)7-14(13)6-9-3-4-19-8-9/h5,7,9-10H,1-4,6,8H2
InChIKeyJFSOIAFNRYOEKM-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.67
Rot. Bonds4

About 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one

5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one (PubChem CID 166507407) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one
PubChem CID166507407
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESO=c1c([N+](=O)[O-])cc(C2CC2)cn1CC1CCOC1
InChIInChI=1S/C13H16N2O4/c16-13-12(15(17)18)5-11(10-1-2-10)7-14(13)6-9-3-4-19-8-9/h5,7,9-10H,1-4,6,8H2
InChIKeyJFSOIAFNRYOEKM-UHFFFAOYSA-N
XLogP1.67
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one (CID 166507407) is 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one is O=c1c([N+](=O)[O-])cc(C2CC2)cn1CC1CCOC1.
What is the InChIKey of 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one?
The InChIKey is JFSOIAFNRYOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-13-12(15(17)18)5-11(10-1-2-10)7-14(13)6-9-3-4-19-8-9/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one?
5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 166507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).