3-propylimino-1-pyridin-2-ylpropan-1-one

C11H14N2O — CID 90739015

IUPAC3-propylimino-1-pyridin-2-ylpropan-1-one
SMILESCCC/N=C/CC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-2-7-12-9-6-11(14)10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3/b12-9+
InChIKeyRPTYTVPLOWCZBY-FMIVXFBMSA-N
MW190.25 g/mol
LogP2.14
Rot. Bonds5

About 3-propylimino-1-pyridin-2-ylpropan-1-one

3-propylimino-1-pyridin-2-ylpropan-1-one (PubChem CID 90739015) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-propylimino-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-propylimino-1-pyridin-2-ylpropan-1-one
PubChem CID90739015
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-propylimino-1-pyridin-2-ylpropan-1-one
SMILESCCC/N=C/CC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-2-7-12-9-6-11(14)10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3/b12-9+
InChIKeyRPTYTVPLOWCZBY-FMIVXFBMSA-N
XLogP2.14
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylimino-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-propylimino-1-pyridin-2-ylpropan-1-one (CID 90739015) is 3-propylimino-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-propylimino-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-propylimino-1-pyridin-2-ylpropan-1-one is CCC/N=C/CC(=O)c1ccccn1.
What is the InChIKey of 3-propylimino-1-pyridin-2-ylpropan-1-one?
The InChIKey is RPTYTVPLOWCZBY-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-7-12-9-6-11(14)10-5-3-4-8-13-10/h3-5,8-9H,2,6-7H2,1H3/b12-9+.
What are the key properties of 3-propylimino-1-pyridin-2-ylpropan-1-one?
3-propylimino-1-pyridin-2-ylpropan-1-one has a molecular weight of 190.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylimino-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 90739015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).