ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate

C11H19NO3 — CID 68758464

IUPACethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)11(3-4-11)9-12-5-7-14-8-6-12/h2-9H2,1H3
InChIKeyVBIDXUDBZPGWLN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds4

About ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate

ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate (PubChem CID 68758464) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
PubChem CID68758464
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)11(3-4-11)9-12-5-7-14-8-6-12/h2-9H2,1H3
InChIKeyVBIDXUDBZPGWLN-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate (CID 68758464) is ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate is CCOC(=O)C1(CN2CCOCC2)CC1.
What is the InChIKey of ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate?
The InChIKey is VBIDXUDBZPGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-10(13)11(3-4-11)9-12-5-7-14-8-6-12/h2-9H2,1H3.
What are the key properties of ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate?
ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 68758464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).