ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

C17H21NO2 — CID 86204573

IUPACethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C17H21NO2/c1-2-20-17(19)11-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3,5,7,9H,2,4,6,8,10-12H2,1H3
InChIKeyKEZBMHLOPOJSAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds4

About ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate (PubChem CID 86204573) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
PubChem CID86204573
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nameethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C17H21NO2/c1-2-20-17(19)11-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3,5,7,9H,2,4,6,8,10-12H2,1H3
InChIKeyKEZBMHLOPOJSAW-UHFFFAOYSA-N
XLogP3.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The IUPAC name of ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate (CID 86204573) is ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate.
What is the SMILES notation for ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The canonical SMILES for ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate is CCOC(=O)CCn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
The InChIKey is KEZBMHLOPOJSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-17(19)11-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3,5,7,9H,2,4,6,8,10-12H2,1H3.
What are the key properties of ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate?
ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate has a molecular weight of 271.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate is sourced from PubChem (CID 86204573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).