ethyl pyrrolidin-2-ylmethyl carbonate

C8H15NO3 — CID 79337609

IUPACethyl pyrrolidin-2-ylmethyl carbonate
SMILESCCOC(=O)OCC1CCCN1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)12-6-7-4-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyFOLNUPUGQPLVTC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds3

About ethyl pyrrolidin-2-ylmethyl carbonate

ethyl pyrrolidin-2-ylmethyl carbonate (PubChem CID 79337609) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl pyrrolidin-2-ylmethyl carbonate.

Molecular Properties

Compound Nameethyl pyrrolidin-2-ylmethyl carbonate
PubChem CID79337609
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl pyrrolidin-2-ylmethyl carbonate
SMILESCCOC(=O)OCC1CCCN1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)12-6-7-4-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyFOLNUPUGQPLVTC-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
ethyl (E)-4-oxo-6-pyrrolidin-2-ylhex-2-enoate
CID 177231180

Frequently Asked Questions

What is the IUPAC name of ethyl pyrrolidin-2-ylmethyl carbonate?
The IUPAC name of ethyl pyrrolidin-2-ylmethyl carbonate (CID 79337609) is ethyl pyrrolidin-2-ylmethyl carbonate.
What is the SMILES notation for ethyl pyrrolidin-2-ylmethyl carbonate?
The canonical SMILES for ethyl pyrrolidin-2-ylmethyl carbonate is CCOC(=O)OCC1CCCN1.
What is the InChIKey of ethyl pyrrolidin-2-ylmethyl carbonate?
The InChIKey is FOLNUPUGQPLVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-11-8(10)12-6-7-4-3-5-9-7/h7,9H,2-6H2,1H3.
What are the key properties of ethyl pyrrolidin-2-ylmethyl carbonate?
ethyl pyrrolidin-2-ylmethyl carbonate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrrolidin-2-ylmethyl carbonate is sourced from PubChem (CID 79337609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).