3-amino-1-(3-methoxypropyl)pyridin-2-one

C9H14N2O2 — CID 62101795

IUPAC3-amino-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(N)c1=O
InChIInChI=1S/C9H14N2O2/c1-13-7-3-6-11-5-2-4-8(10)9(11)12/h2,4-5H,3,6-7,10H2,1H3
InChIKeyZGVDGMISPBPUSX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-1-(3-methoxypropyl)pyridin-2-one

3-amino-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 62101795) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxypropyl)pyridin-2-one
PubChem CID62101795
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(N)c1=O
InChIInChI=1S/C9H14N2O2/c1-13-7-3-6-11-5-2-4-8(10)9(11)12/h2,4-5H,3,6-7,10H2,1H3
InChIKeyZGVDGMISPBPUSX-UHFFFAOYSA-N
XLogP0.47
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(3-methoxypropyl)pyridin-2-one (CID 62101795) is 3-amino-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(3-methoxypropyl)pyridin-2-one is COCCCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is ZGVDGMISPBPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-7-3-6-11-5-2-4-8(10)9(11)12/h2,4-5H,3,6-7,10H2,1H3.
What are the key properties of 3-amino-1-(3-methoxypropyl)pyridin-2-one?
3-amino-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 62101795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).