4-methyl-4-(oxan-3-yl)pyrrolidin-2-one

C10H17NO2 — CID 105440648

IUPAC4-methyl-4-(oxan-3-yl)pyrrolidin-2-one
SMILESCC1(C2CCCOC2)CNC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(5-9(12)11-7-10)8-3-2-4-13-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyYOVBMJRHOKGHEB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

About 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one

4-methyl-4-(oxan-3-yl)pyrrolidin-2-one (PubChem CID 105440648) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(oxan-3-yl)pyrrolidin-2-one
PubChem CID105440648
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methyl-4-(oxan-3-yl)pyrrolidin-2-one
SMILESCC1(C2CCCOC2)CNC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(5-9(12)11-7-10)8-3-2-4-13-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyYOVBMJRHOKGHEB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-cyclopentyl-5-methylpiperidin-2-one
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2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
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(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
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3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
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1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one (CID 105440648) is 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one is CC1(C2CCCOC2)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one?
The InChIKey is YOVBMJRHOKGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(5-9(12)11-7-10)8-3-2-4-13-6-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one?
4-methyl-4-(oxan-3-yl)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(oxan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 105440648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).