1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one

C10H17NO3 — CID 104761898

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
SMILESCOC1(CN2CCC(=O)C2)CCOC1
InChIInChI=1S/C10H17NO3/c1-13-10(3-5-14-8-10)7-11-4-2-9(12)6-11/h2-8H2,1H3
InChIKeyBPCSHPNWCZDEKF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.07
Rot. Bonds3

About 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one

1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one (PubChem CID 104761898) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
PubChem CID104761898
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
SMILESCOC1(CN2CCC(=O)C2)CCOC1
InChIInChI=1S/C10H17NO3/c1-13-10(3-5-14-8-10)7-11-4-2-9(12)6-11/h2-8H2,1H3
InChIKeyBPCSHPNWCZDEKF-UHFFFAOYSA-N
XLogP0.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
1-[(3-methoxyoxolan-3-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 104761901
9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 104767923
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136
1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one (CID 104761898) is 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one is COC1(CN2CCC(=O)C2)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one?
The InChIKey is BPCSHPNWCZDEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-10(3-5-14-8-10)7-11-4-2-9(12)6-11/h2-8H2,1H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one?
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one has a molecular weight of 199.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one is sourced from PubChem (CID 104761898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).