5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one

C13H19NO — CID 134553560

IUPAC5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2)c1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJTRUICKJNKEVPB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.56
Rot. Bonds2

About 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one

5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 134553560) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID134553560
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2)c1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJTRUICKJNKEVPB-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one (CID 134553560) is 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one is CC(C)(C)c1ccc(=O)n(CC2CC2)c1.
What is the InChIKey of 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is JTRUICKJNKEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one?
5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 134553560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).