1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane

C12H26N2O — CID 170766551

IUPAC1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane
SMILESCC.CCC1C(N(C)C)CCN1C(C)=O
InChIInChI=1S/C10H20N2O.C2H6/c1-5-9-10(11(3)4)6-7-12(9)8(2)13;1-2/h9-10H,5-7H2,1-4H3;1-2H3
InChIKeyCODAQGBFJDIDMW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.97
Rot. Bonds2

About 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane

1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane (PubChem CID 170766551) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane
PubChem CID170766551
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane
SMILESCC.CCC1C(N(C)C)CCN1C(C)=O
InChIInChI=1S/C10H20N2O.C2H6/c1-5-9-10(11(3)4)6-7-12(9)8(2)13;1-2/h9-10H,5-7H2,1-4H3;1-2H3
InChIKeyCODAQGBFJDIDMW-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane (CID 170766551) is 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane is CC.CCC1C(N(C)C)CCN1C(C)=O.
What is the InChIKey of 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane?
The InChIKey is CODAQGBFJDIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-5-9-10(11(3)4)6-7-12(9)8(2)13;1-2/h9-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane?
1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane has a molecular weight of 214.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2-ethylpyrrolidin-1-yl]ethanone;ethane is sourced from PubChem (CID 170766551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).