ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate

C11H24N2O2 — CID 162757671

IUPACethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-13-9(12)11-6-5-8(7-11)10(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyVHBBBAQVCFCSTL-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.80
Rot. Bonds2

About ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate

ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate (PubChem CID 162757671) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
PubChem CID162757671
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-13-9(12)11-6-5-8(7-11)10(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyVHBBBAQVCFCSTL-UHFFFAOYSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
CID 58035265
ethyl 4-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 95313235
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79814784
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate (CID 162757671) is ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate is CC.CCOC(=O)N1CCC(N(C)C)C1.
What is the InChIKey of ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate?
The InChIKey is VHBBBAQVCFCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-4-13-9(12)11-6-5-8(7-11)10(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate?
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate has a molecular weight of 216.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162757671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).