ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one

C13H23NO3 — CID 142506794

IUPACethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
SMILESCC.CC.CC(=O)COCc1cc[nH]c(=O)c1
InChIInChI=1S/C9H11NO3.2C2H6/c1-7(11)5-13-6-8-2-3-10-9(12)4-8;2*1-2/h2-4H,5-6H2,1H3,(H,10,12);2*1-2H3
InChIKeyGELVGQKOMXOHLE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.53
Rot. Bonds4

About ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one

ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one (PubChem CID 142506794) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
PubChem CID142506794
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
SMILESCC.CC.CC(=O)COCc1cc[nH]c(=O)c1
InChIInChI=1S/C9H11NO3.2C2H6/c1-7(11)5-13-6-8-2-3-10-9(12)4-8;2*1-2/h2-4H,5-6H2,1H3,(H,10,12);2*1-2H3
InChIKeyGELVGQKOMXOHLE-UHFFFAOYSA-N
XLogP2.53
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopropoxy)-1H-pyridin-2-one
CID 59526871
4-(methoxymethyl)-1H-pyridin-2-one
CID 67359309
4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one
CID 89491071
5-[(3,3-dimethyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
CID 129255791
4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 129259345
4-[(3,3-dimethyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
CID 129259351
5-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 129259354
4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
CID 137429695
4-methyl-5-propan-2-yloxy-1H-pyridin-2-one
CID 138496543
5-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
CID 142506485
ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
CID 145341910
2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
CID 145341911

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one (CID 142506794) is ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one is CC.CC.CC(=O)COCc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The InChIKey is GELVGQKOMXOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.2C2H6/c1-7(11)5-13-6-8-2-3-10-9(12)4-8;2*1-2/h2-4H,5-6H2,1H3,(H,10,12);2*1-2H3.
What are the key properties of ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one?
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one has a molecular weight of 241.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142506794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).