6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one

C12H16N2O — CID 123915720

IUPAC6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C/C(C)c1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H16N2O/c1-7-5-10(9-3-4-9)14-12(15)11(7)8(2)6-13/h5-6,8-9,13H,3-4H2,1-2H3,(H,14,15)/b13-6+
InChIKeyIPMSPDIUYPWCRB-AWNIVKPZSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds3

About 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one

6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one (PubChem CID 123915720) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one
PubChem CID123915720
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C/C(C)c1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H16N2O/c1-7-5-10(9-3-4-9)14-12(15)11(7)8(2)6-13/h5-6,8-9,13H,3-4H2,1-2H3,(H,14,15)/b13-6+
InChIKeyIPMSPDIUYPWCRB-AWNIVKPZSA-N
XLogP2.31
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
CID 90889194
3-methyl-5,8-dihydro-2H-2,6-naphthyridin-1-one
CID 91166669
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
6-cyclobutyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
CID 137078773
6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
CID 137152211
(E)-N-[(2E,4Z)-6-(2,3-dimethyl-2,3-dihydropyridin-5-yl)-4-[(Z)-1-ethenylprop-1-enyl]hepta-2,4,6-trien-2-yl]-2-methanimidoylbut-2-enamide
CID 142583891

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one (CID 123915720) is 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one is [H]/N=C/C(C)c1c(C)cc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one?
The InChIKey is IPMSPDIUYPWCRB-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-5-10(9-3-4-9)14-12(15)11(7)8(2)6-13/h5-6,8-9,13H,3-4H2,1-2H3,(H,14,15)/b13-6+.
What are the key properties of 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one?
6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123915720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).