4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one

C12H17NO2 — CID 146260214

IUPAC4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C1(c2cc[nH]c(=O)c2)CCCO1
InChIInChI=1S/C12H17NO2/c1-9(2)12(5-3-7-15-12)10-4-6-13-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyFROKADUBCDNTDP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds2

About 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one

4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one (PubChem CID 146260214) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one
PubChem CID146260214
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C1(c2cc[nH]c(=O)c2)CCCO1
InChIInChI=1S/C12H17NO2/c1-9(2)12(5-3-7-15-12)10-4-6-13-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyFROKADUBCDNTDP-UHFFFAOYSA-N
XLogP2.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one (CID 146260214) is 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one is CC(C)C1(c2cc[nH]c(=O)c2)CCCO1.
What is the InChIKey of 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one?
The InChIKey is FROKADUBCDNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)12(5-3-7-15-12)10-4-6-13-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one?
4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxolan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 146260214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).