3-(pentan-2-yliminomethyl)-1H-pyridin-2-one

C11H16N2O — CID 155930285

IUPAC3-(pentan-2-yliminomethyl)-1H-pyridin-2-one
SMILESCCCC(C)/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-3-5-9(2)13-8-10-6-4-7-12-11(10)14/h4,6-9H,3,5H2,1-2H3,(H,12,14)/b13-8+
InChIKeyMNXPQYJERSDEOD-MDWZMJQESA-N
MW192.26 g/mol
LogP1.98
Rot. Bonds4

About 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one

3-(pentan-2-yliminomethyl)-1H-pyridin-2-one (PubChem CID 155930285) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(pentan-2-yliminomethyl)-1H-pyridin-2-one
PubChem CID155930285
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(pentan-2-yliminomethyl)-1H-pyridin-2-one
SMILESCCCC(C)/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-3-5-9(2)13-8-10-6-4-7-12-11(10)14/h4,6-9H,3,5H2,1-2H3,(H,12,14)/b13-8+
InChIKeyMNXPQYJERSDEOD-MDWZMJQESA-N
XLogP1.98
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one
CID 155930388
1-[(2-oxo-1H-pyridin-3-yl)methylidene]pyridin-1-ium-2-one
CID 123335146
9-methyl-1H-1,5-diazecin-10-one
CID 132039744
(3E)-3-(Aminomethylidene)pyridin-2(3H)-one
CID 136082577
4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
CID 137277728
(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide
CID 142191621
7-Methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
CID 143017382
ethane;(2E,4E)-N-methyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 144127180
ethane;3-methanimidoyl-1H-pyridin-2-one
CID 144917826
1,4-Diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide
CID 160626951
3-(methyliminomethyl)-1H-pyridin-2-one
CID 163926335
(7S)-7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
CID 164140042

Frequently Asked Questions

What is the IUPAC name of 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one (CID 155930285) is 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one is CCCC(C)/N=C/c1ccc[nH]c1=O.
What is the InChIKey of 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one?
The InChIKey is MNXPQYJERSDEOD-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-9(2)13-8-10-6-4-7-12-11(10)14/h4,6-9H,3,5H2,1-2H3,(H,12,14)/b13-8+.
What are the key properties of 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one?
3-(pentan-2-yliminomethyl)-1H-pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentan-2-yliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 155930285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).