ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate

C18H17NO2 — CID 144788817

IUPACethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2
InChIInChI=1S/C18H17NO2/c1-2-21-18(20)12-7-8-15-14(10-12)17-13-5-3-4-11(13)6-9-16(17)19-15/h7-10H,2-6H2,1H3
InChIKeyGYPJUHRFVZTXOM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.42
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate

ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate (PubChem CID 144788817) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate
PubChem CID144788817
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2
InChIInChI=1S/C18H17NO2/c1-2-21-18(20)12-7-8-15-14(10-12)17-13-5-3-4-11(13)6-9-16(17)19-15/h7-10H,2-6H2,1H3
InChIKeyGYPJUHRFVZTXOM-UHFFFAOYSA-N
XLogP2.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate?
The IUPAC name of ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate (CID 144788817) is ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate?
The canonical SMILES for ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate is CCOC(=O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2.
What is the InChIKey of ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate?
The InChIKey is GYPJUHRFVZTXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-21-18(20)12-7-8-15-14(10-12)17-13-5-3-4-11(13)6-9-16(17)19-15/h7-10H,2-6H2,1H3.
What are the key properties of ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate?
ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylate is sourced from PubChem (CID 144788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).