(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane

C8H17NO — CID 143653948

IUPAC(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
SMILESCC.C[C@@H]1NC(=O)C[C@@H]1C
InChIInChI=1S/C6H11NO.C2H6/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3/t4-,5-;/m0./s1
InChIKeyBFLHGVHEOMCEHN-FHAQVOQBSA-N
MW143.23 g/mol
LogP1.56
Rot. Bonds

About (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane

(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane (PubChem CID 143653948) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
PubChem CID143653948
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
SMILESCC.C[C@@H]1NC(=O)C[C@@H]1C
InChIInChI=1S/C6H11NO.C2H6/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3/t4-,5-;/m0./s1
InChIKeyBFLHGVHEOMCEHN-FHAQVOQBSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
CID 159095548
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
CID 11815391
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
(1S,5S,6R,7R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-one;(1S,5S,6R,7S)-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-one
CID 159981105
5-cyclohexyl-4-methylpyrrolidin-2-one
CID 155214705
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 147171031
tert-butyl 5,6-dimethyl-3-oxo-1,4-diazepane-1-carboxylate
CID 169181220
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
CID 75094596

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane?
The IUPAC name of (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane (CID 143653948) is (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane.
What is the SMILES notation for (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane?
The canonical SMILES for (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane is CC.C[C@@H]1NC(=O)C[C@@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane?
The InChIKey is BFLHGVHEOMCEHN-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3/t4-,5-;/m0./s1.
What are the key properties of (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane?
(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane has a molecular weight of 143.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane is sourced from PubChem (CID 143653948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).