3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one

C13H19NO — CID 58980655

IUPAC3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cc(C2(C)CC2)c[nH]c1=O
InChIInChI=1S/C13H19NO/c1-12(2,3)10-7-9(8-14-11(10)15)13(4)5-6-13/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyNIJCXZWVVCNVHL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.72
Rot. Bonds1

About 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one

3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one (PubChem CID 58980655) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one
PubChem CID58980655
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cc(C2(C)CC2)c[nH]c1=O
InChIInChI=1S/C13H19NO/c1-12(2,3)10-7-9(8-14-11(10)15)13(4)5-6-13/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyNIJCXZWVVCNVHL-UHFFFAOYSA-N
XLogP2.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one?
The IUPAC name of 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one (CID 58980655) is 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one is CC(C)(C)c1cc(C2(C)CC2)c[nH]c1=O.
What is the InChIKey of 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one?
The InChIKey is NIJCXZWVVCNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2,3)10-7-9(8-14-11(10)15)13(4)5-6-13/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one?
3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(1-methylcyclopropyl)-1H-pyridin-2-one is sourced from PubChem (CID 58980655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).