ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate

C10H21NO2 — CID 144942251

IUPACethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C8H15NO2.C2H6/c1-8(2)4-5-9(6-8)7(10)11-3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyJTFRZXUMHOHFHR-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.51
Rot. Bonds

About ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate

ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 144942251) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
PubChem CID144942251
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C8H15NO2.C2H6/c1-8(2)4-5-9(6-8)7(10)11-3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyJTFRZXUMHOHFHR-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
CID 118447065
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
2,2,2-trifluoroethyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 79039797
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate (CID 144942251) is ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate is CC.COC(=O)N1CCC(C)(C)C1.
What is the InChIKey of ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is JTFRZXUMHOHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-8(2)4-5-9(6-8)7(10)11-3;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate?
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 187.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 144942251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).