(3S)-1,3-dimethylpyrrolidin-2-one;ethane

C8H17NO — CID 144550831

IUPAC(3S)-1,3-dimethylpyrrolidin-2-one;ethane
SMILESCC.C[C@H]1CCN(C)C1=O
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-4-7(2)6(5)8;1-2/h5H,3-4H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyBHSQKQYZEYAUBY-JEDNCBNOSA-N
MW143.23 g/mol
LogP1.51
Rot. Bonds

About (3S)-1,3-dimethylpyrrolidin-2-one;ethane

(3S)-1,3-dimethylpyrrolidin-2-one;ethane (PubChem CID 144550831) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-1,3-dimethylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name(3S)-1,3-dimethylpyrrolidin-2-one;ethane
PubChem CID144550831
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-1,3-dimethylpyrrolidin-2-one;ethane
SMILESCC.C[C@H]1CCN(C)C1=O
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-4-7(2)6(5)8;1-2/h5H,3-4H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyBHSQKQYZEYAUBY-JEDNCBNOSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
CID 159349569
1,4,6-trimethyl-1,4-diazocane-5,8-dione
CID 118659197
(3R)-1-iodo-3-methylpyrrolidin-2-one
CID 144527785
1-methyl-3-phosphanylpyrrolidin-2-one
CID 90168334
1,6-dimethylazocane-2,5-dione
CID 24976921
3-amino-1-methylpyrrolidin-2-one;hydrochloride
CID 67280315
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
1,3-dimethyl-1,5-diazocan-2-one
CID 13418870

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylpyrrolidin-2-one;ethane?
The IUPAC name of (3S)-1,3-dimethylpyrrolidin-2-one;ethane (CID 144550831) is (3S)-1,3-dimethylpyrrolidin-2-one;ethane.
What is the SMILES notation for (3S)-1,3-dimethylpyrrolidin-2-one;ethane?
The canonical SMILES for (3S)-1,3-dimethylpyrrolidin-2-one;ethane is CC.C[C@H]1CCN(C)C1=O.
What is the InChIKey of (3S)-1,3-dimethylpyrrolidin-2-one;ethane?
The InChIKey is BHSQKQYZEYAUBY-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-3-4-7(2)6(5)8;1-2/h5H,3-4H2,1-2H3;1-2H3/t5-;/m0./s1.
What are the key properties of (3S)-1,3-dimethylpyrrolidin-2-one;ethane?
(3S)-1,3-dimethylpyrrolidin-2-one;ethane has a molecular weight of 143.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylpyrrolidin-2-one;ethane is sourced from PubChem (CID 144550831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).