3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one

C12H18N2O2 — CID 84687732

IUPAC3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one
SMILESCc1c(OCCCN)c(=O)ccn1C1CC1
InChIInChI=1S/C12H18N2O2/c1-9-12(16-8-2-6-13)11(15)5-7-14(9)10-3-4-10/h5,7,10H,2-4,6,8,13H2,1H3
InChIKeyYYHKBNRVDJHHHI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds5

About 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one

3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one (PubChem CID 84687732) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one
PubChem CID84687732
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one
SMILESCc1c(OCCCN)c(=O)ccn1C1CC1
InChIInChI=1S/C12H18N2O2/c1-9-12(16-8-2-6-13)11(15)5-7-14(9)10-3-4-10/h5,7,10H,2-4,6,8,13H2,1H3
InChIKeyYYHKBNRVDJHHHI-UHFFFAOYSA-N
XLogP1.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
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-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The IUPAC name of 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one (CID 84687732) is 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one.
What is the SMILES notation for 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The canonical SMILES for 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one is Cc1c(OCCCN)c(=O)ccn1C1CC1.
What is the InChIKey of 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The InChIKey is YYHKBNRVDJHHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(16-8-2-6-13)11(15)5-7-14(9)10-3-4-10/h5,7,10H,2-4,6,8,13H2,1H3.
What are the key properties of 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one?
3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-1-cyclopropyl-2-methylpyridin-4-one is sourced from PubChem (CID 84687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).