ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate

C17H29NO3 — CID 79909785

IUPACethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-20-16(19)15-7-6-11-18(15)14-8-12-21-17(13-14)9-4-3-5-10-17/h14-15H,2-13H2,1H3
InChIKeyPTCYABLDMLPZMC-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds3

About ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate

ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate (PubChem CID 79909785) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
PubChem CID79909785
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nameethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-20-16(19)15-7-6-11-18(15)14-8-12-21-17(13-14)9-4-3-5-10-17/h14-15H,2-13H2,1H3
InChIKeyPTCYABLDMLPZMC-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate (CID 79909785) is ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is PTCYABLDMLPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-20-16(19)15-7-6-11-18(15)14-8-12-21-17(13-14)9-4-3-5-10-17/h14-15H,2-13H2,1H3.
What are the key properties of ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 79909785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).