ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate

C15H29NO4 — CID 170767406

IUPACethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate
SMILESCC.CCC1C(OC(=O)N2CCC(C)C2)COC1OC
InChIInChI=1S/C13H23NO4.C2H6/c1-4-10-11(8-17-12(10)16-3)18-13(15)14-6-5-9(2)7-14;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyDXHDHSFRTUFSBL-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.89
Rot. Bonds3

About ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate

ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate (PubChem CID 170767406) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate
PubChem CID170767406
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate
SMILESCC.CCC1C(OC(=O)N2CCC(C)C2)COC1OC
InChIInChI=1S/C13H23NO4.C2H6/c1-4-10-11(8-17-12(10)16-3)18-13(15)14-6-5-9(2)7-14;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyDXHDHSFRTUFSBL-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
tert-butyl 3-methylpyrrolidine-1-carboxylate;ethane;ethyl formate
CID 145438130
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylpyrrolidine-1-carboxylate
CID 123284912
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate
CID 143850807
ethane;methanamine;methoxymethane;1-(3-methylpyrrolidin-1-yl)but-2-yn-1-one
CID 178118742
2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177054013
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate?
The IUPAC name of ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate (CID 170767406) is ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate is CC.CCC1C(OC(=O)N2CCC(C)C2)COC1OC.
What is the InChIKey of ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate?
The InChIKey is DXHDHSFRTUFSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4.C2H6/c1-4-10-11(8-17-12(10)16-3)18-13(15)14-6-5-9(2)7-14;1-2/h9-12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate?
ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 170767406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).