methyl pyrrolidin-3-ylmethyl carbonate

C7H13NO3 — CID 79337934

IUPACmethyl pyrrolidin-3-ylmethyl carbonate
SMILESCOC(=O)OCC1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)11-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyRYPLNAMPOJFFLY-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds2

About methyl pyrrolidin-3-ylmethyl carbonate

methyl pyrrolidin-3-ylmethyl carbonate (PubChem CID 79337934) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl pyrrolidin-3-ylmethyl carbonate.

Molecular Properties

Compound Namemethyl pyrrolidin-3-ylmethyl carbonate
PubChem CID79337934
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl pyrrolidin-3-ylmethyl carbonate
SMILESCOC(=O)OCC1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)11-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyRYPLNAMPOJFFLY-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl methyl carbonate
CID 54535586
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
pyrrolidin-3-ylmethyl butanoate
CID 143112520
N-propan-2-yl-2-(pyrrolidin-3-ylmethoxy)propanamide
CID 62372806
N-ethyl-2-(pyrrolidin-3-ylmethoxy)propanamide
CID 62372974
pyrrolidin-3-ylmethyl 2-chloroacetate;hydrochloride
CID 53409833
pyrrolidin-3-ylmethyl 2,2,2-trichloroacetate;hydrochloride
CID 56829476
2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442

Frequently Asked Questions

What is the IUPAC name of methyl pyrrolidin-3-ylmethyl carbonate?
The IUPAC name of methyl pyrrolidin-3-ylmethyl carbonate (CID 79337934) is methyl pyrrolidin-3-ylmethyl carbonate.
What is the SMILES notation for methyl pyrrolidin-3-ylmethyl carbonate?
The canonical SMILES for methyl pyrrolidin-3-ylmethyl carbonate is COC(=O)OCC1CCNC1.
What is the InChIKey of methyl pyrrolidin-3-ylmethyl carbonate?
The InChIKey is RYPLNAMPOJFFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(9)11-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3.
What are the key properties of methyl pyrrolidin-3-ylmethyl carbonate?
methyl pyrrolidin-3-ylmethyl carbonate has a molecular weight of 159.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolidin-3-ylmethyl carbonate is sourced from PubChem (CID 79337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).