ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate

C17H27NO2 — CID 155195606

IUPACethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1[nH]cc2c1CCCCCCCCCC2
InChIInChI=1S/C17H27NO2/c1-2-20-17(19)16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-18-16/h13,18H,2-12H2,1H3
InChIKeyLYSXQEGJQQBSQC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.41
Rot. Bonds2

About ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate

ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate (PubChem CID 155195606) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate
PubChem CID155195606
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1[nH]cc2c1CCCCCCCCCC2
InChIInChI=1S/C17H27NO2/c1-2-20-17(19)16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-18-16/h13,18H,2-12H2,1H3
InChIKeyLYSXQEGJQQBSQC-UHFFFAOYSA-N
XLogP4.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate 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

ethane;methyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
CID 144811318
4,5,6,7-tetrahydro-2H-isoindole-1-carboxamide
CID 175882211
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 10965427
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
ethyl 3,4-dichloro-1H-pyrrole-2-carboxylate
CID 130007030
ethyl cycloundecene-1-carboxylate
CID 154164177
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
ethyl 7-chloro-1,3,4,5-tetrahydrobenzo[cd]indole-2-carboxylate
CID 18984729
4-propanoyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 119053854

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate?
The IUPAC name of ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate (CID 155195606) is ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate is CCOC(=O)c1[nH]cc2c1CCCCCCCCCC2.
What is the InChIKey of ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate?
The InChIKey is LYSXQEGJQQBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-20-17(19)16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-18-16/h13,18H,2-12H2,1H3.
What are the key properties of ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate?
ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate has a molecular weight of 277.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate is sourced from PubChem (CID 155195606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).