1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one

C9H12N2O2 — CID 166803378

IUPAC1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one
SMILESO=c1ccc(NO)cn1CC1CC1
InChIInChI=1S/C9H12N2O2/c12-9-4-3-8(10-13)6-11(9)5-7-1-2-7/h3-4,6-7,10,13H,1-2,5H2
InChIKeyLWQPQVVLAXCUQM-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one

1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one (PubChem CID 166803378) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one
PubChem CID166803378
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one
SMILESO=c1ccc(NO)cn1CC1CC1
InChIInChI=1S/C9H12N2O2/c12-9-4-3-8(10-13)6-11(9)5-7-1-2-7/h3-4,6-7,10,13H,1-2,5H2
InChIKeyLWQPQVVLAXCUQM-UHFFFAOYSA-N
XLogP1.06
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one (CID 166803378) is 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one is O=c1ccc(NO)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one?
The InChIKey is LWQPQVVLAXCUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-4-3-8(10-13)6-11(9)5-7-1-2-7/h3-4,6-7,10,13H,1-2,5H2.
What are the key properties of 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one?
1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(hydroxyamino)pyridin-2-one is sourced from PubChem (CID 166803378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).