1,3-dimethylpyrrolidin-2-one;ethane

C10H23NO — CID 142056309

IUPAC1,3-dimethylpyrrolidin-2-one;ethane
SMILESCC.CC.CC1CCN(C)C1=O
InChIInChI=1S/C6H11NO.2C2H6/c1-5-3-4-7(2)6(5)8;2*1-2/h5H,3-4H2,1-2H3;2*1-2H3
InChIKeyNRMGPFHHSVIMCT-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.54
Rot. Bonds

About 1,3-dimethylpyrrolidin-2-one;ethane

1,3-dimethylpyrrolidin-2-one;ethane (PubChem CID 142056309) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethylpyrrolidin-2-one;ethane
PubChem CID142056309
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1,3-dimethylpyrrolidin-2-one;ethane
SMILESCC.CC.CC1CCN(C)C1=O
InChIInChI=1S/C6H11NO.2C2H6/c1-5-3-4-7(2)6(5)8;2*1-2/h5H,3-4H2,1-2H3;2*1-2H3
InChIKeyNRMGPFHHSVIMCT-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
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 1,3-dimethylpyrrolidin-2-one;ethane?
The IUPAC name of 1,3-dimethylpyrrolidin-2-one;ethane (CID 142056309) is 1,3-dimethylpyrrolidin-2-one;ethane.
What is the SMILES notation for 1,3-dimethylpyrrolidin-2-one;ethane?
The canonical SMILES for 1,3-dimethylpyrrolidin-2-one;ethane is CC.CC.CC1CCN(C)C1=O.
What is the InChIKey of 1,3-dimethylpyrrolidin-2-one;ethane?
The InChIKey is NRMGPFHHSVIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2C2H6/c1-5-3-4-7(2)6(5)8;2*1-2/h5H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethylpyrrolidin-2-one;ethane?
1,3-dimethylpyrrolidin-2-one;ethane has a molecular weight of 173.30 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidin-2-one;ethane is sourced from PubChem (CID 142056309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).