methyl 1-morpholin-4-ylcyclopentane-1-carboxylate

C11H19NO3 — CID 67506200

IUPACmethyl 1-morpholin-4-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(4-2-3-5-11)12-6-8-15-9-7-12/h2-9H2,1H3
InChIKeyWKKVVTAPOVOEKB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds2

About methyl 1-morpholin-4-ylcyclopentane-1-carboxylate

methyl 1-morpholin-4-ylcyclopentane-1-carboxylate (PubChem CID 67506200) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-morpholin-4-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-morpholin-4-ylcyclopentane-1-carboxylate
PubChem CID67506200
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-morpholin-4-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(4-2-3-5-11)12-6-8-15-9-7-12/h2-9H2,1H3
InChIKeyWKKVVTAPOVOEKB-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-morpholin-4-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-morpholin-4-ylcyclopentane-1-carboxylate (CID 67506200) is methyl 1-morpholin-4-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-morpholin-4-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-morpholin-4-ylcyclopentane-1-carboxylate is COC(=O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of methyl 1-morpholin-4-ylcyclopentane-1-carboxylate?
The InChIKey is WKKVVTAPOVOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)11(4-2-3-5-11)12-6-8-15-9-7-12/h2-9H2,1H3.
What are the key properties of methyl 1-morpholin-4-ylcyclopentane-1-carboxylate?
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-morpholin-4-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 67506200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).