1-methylpyrrolidin-2-one;oxetane

C8H15NO2 — CID 170438379

IUPAC1-methylpyrrolidin-2-one;oxetane
SMILESC1COC1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6O/c1-6-4-2-3-5(6)7;1-2-4-3-1/h2-4H2,1H3;1-3H2
InChIKeyDXMDDCSMMOSBNE-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds

About 1-methylpyrrolidin-2-one;oxetane

1-methylpyrrolidin-2-one;oxetane (PubChem CID 170438379) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;oxetane.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;oxetane
PubChem CID170438379
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-methylpyrrolidin-2-one;oxetane
SMILESC1COC1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6O/c1-6-4-2-3-5(6)7;1-2-4-3-1/h2-4H2,1H3;1-3H2
InChIKeyDXMDDCSMMOSBNE-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methanethiol;1-methylpyrrolidin-2-one
CID 174894965
CID 174856842
CID 174856842
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
1-methylpyrrolidin-2-one;urea
CID 141281161
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
1-methylpyrrolidin-2-one;nickel(2+);dinitrate
CID 175425865
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562
methanesulfonic acid;1-methylpyrrolidin-2-one;hydrate
CID 131725232
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
1-methylpyrrolidin-2-one;nitric acid
CID 71426471
3-methyl-1,3-oxazepan-4-one
CID 15561483

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;oxetane?
The IUPAC name of 1-methylpyrrolidin-2-one;oxetane (CID 170438379) is 1-methylpyrrolidin-2-one;oxetane.
What is the SMILES notation for 1-methylpyrrolidin-2-one;oxetane?
The canonical SMILES for 1-methylpyrrolidin-2-one;oxetane is C1COC1.CN1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;oxetane?
The InChIKey is DXMDDCSMMOSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6O/c1-6-4-2-3-5(6)7;1-2-4-3-1/h2-4H2,1H3;1-3H2.
What are the key properties of 1-methylpyrrolidin-2-one;oxetane?
1-methylpyrrolidin-2-one;oxetane has a molecular weight of 157.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;oxetane is sourced from PubChem (CID 170438379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).