ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate

C18H31NO2 — CID 114820573

IUPACethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C18H31NO2/c1-2-21-16(20)15-18(19-13-5-6-14-19)11-9-17(10-12-18)7-3-4-8-17/h2-15H2,1H3
InChIKeyVBVWQCREDPWNTI-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.91
Rot. Bonds4

About ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate

ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate (PubChem CID 114820573) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
PubChem CID114820573
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nameethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C18H31NO2/c1-2-21-16(20)15-18(19-13-5-6-14-19)11-9-17(10-12-18)7-3-4-8-17/h2-15H2,1H3
InChIKeyVBVWQCREDPWNTI-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-[3-(4-methylpiperazin-1-yl)-1,1-dioxothian-3-yl]acetate
CID 65420784
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate?
The IUPAC name of ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate (CID 114820573) is ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate is CCOC(=O)CC1(N2CCCC2)CCC2(CCCC2)CC1.
What is the InChIKey of ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate?
The InChIKey is VBVWQCREDPWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-21-16(20)15-18(19-13-5-6-14-19)11-9-17(10-12-18)7-3-4-8-17/h2-15H2,1H3.
What are the key properties of ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate?
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate has a molecular weight of 293.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 114820573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).