1-(oxolan-3-ylmethyl)pyrrolidin-3-one

C9H15NO2 — CID 62823822

IUPAC1-(oxolan-3-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2CCOC2)C1
InChIInChI=1S/C9H15NO2/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h8H,1-7H2
InChIKeyXTZWWTIQAGJVEQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.30
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)pyrrolidin-3-one

1-(oxolan-3-ylmethyl)pyrrolidin-3-one (PubChem CID 62823822) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)pyrrolidin-3-one
PubChem CID62823822
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(oxolan-3-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2CCOC2)C1
InChIInChI=1S/C9H15NO2/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h8H,1-7H2
InChIKeyXTZWWTIQAGJVEQ-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
1-[(3-methylcyclopentyl)methyl]pyrrolidin-3-one
CID 107413455
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
7-[[(3S)-oxolan-3-yl]methyl]-2-propan-2-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136891489
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidin-3-one?
The IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidin-3-one (CID 62823822) is 1-(oxolan-3-ylmethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(oxolan-3-ylmethyl)pyrrolidin-3-one is O=C1CCN(CC2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)pyrrolidin-3-one?
The InChIKey is XTZWWTIQAGJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h8H,1-7H2.
What are the key properties of 1-(oxolan-3-ylmethyl)pyrrolidin-3-one?
1-(oxolan-3-ylmethyl)pyrrolidin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)pyrrolidin-3-one is sourced from PubChem (CID 62823822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).