5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one

C16H23NO2 — CID 170113036

IUPAC5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)cn(CC2CCC2O)c1=O
InChIInChI=1S/C16H23NO2/c1-10(2)14-7-13(11-3-4-11)9-17(16(14)19)8-12-5-6-15(12)18/h7,9-12,15,18H,3-6,8H2,1-2H3
InChIKeyMNLSXRWBKHWVHJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.62
Rot. Bonds4

About 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one

5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one (PubChem CID 170113036) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one
PubChem CID170113036
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)cn(CC2CCC2O)c1=O
InChIInChI=1S/C16H23NO2/c1-10(2)14-7-13(11-3-4-11)9-17(16(14)19)8-12-5-6-15(12)18/h7,9-12,15,18H,3-6,8H2,1-2H3
InChIKeyMNLSXRWBKHWVHJ-UHFFFAOYSA-N
XLogP2.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one (CID 170113036) is 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one is CC(C)c1cc(C2CC2)cn(CC2CCC2O)c1=O.
What is the InChIKey of 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is MNLSXRWBKHWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)14-7-13(11-3-4-11)9-17(16(14)19)8-12-5-6-15(12)18/h7,9-12,15,18H,3-6,8H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one?
5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2-hydroxycyclobutyl)methyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 170113036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).