ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one

C8H15NO2 — CID 144543085

IUPACethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESC=C.CC1CNC(=O)C1(C)O
InChIInChI=1S/C6H11NO2.C2H4/c1-4-3-7-5(8)6(4,2)9;1-2/h4,9H,3H2,1-2H3,(H,7,8);1-2H2
InChIKeyMZGUGOHEJWQPDB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds

About ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one

ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one (PubChem CID 144543085) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Nameethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one
PubChem CID144543085
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESC=C.CC1CNC(=O)C1(C)O
InChIInChI=1S/C6H11NO2.C2H4/c1-4-3-7-5(8)6(4,2)9;1-2/h4,9H,3H2,1-2H3,(H,7,8);1-2H2
InChIKeyMZGUGOHEJWQPDB-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
3,3-difluoro-4-methylpyrrolidin-2-one;ethane
CID 162680874
3,3-dichloro-4-methylpyrrolidin-2-one
CID 15408499
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
CID 155905032
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
4-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 55286568
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
5-amino-3,3-dimethylpiperidin-2-one
CID 131610906
4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
(3S,4S,5R)-3,4-dihydroxy-5-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-3-methyloxolan-2-one
CID 102254228
3,3-dimethyl-4-propylpyrrolidin-2-one
CID 89424311

Frequently Asked Questions

What is the IUPAC name of ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one (CID 144543085) is ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one is C=C.CC1CNC(=O)C1(C)O.
What is the InChIKey of ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one?
The InChIKey is MZGUGOHEJWQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H4/c1-4-3-7-5(8)6(4,2)9;1-2/h4,9H,3H2,1-2H3,(H,7,8);1-2H2.
What are the key properties of ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one?
ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 144543085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).