ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

C17H20N2O2 — CID 102406839

IUPACethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
SMILESC=CCC12CN(C(=O)OCC)CCC1=Nc1ccccc12
InChIInChI=1S/C17H20N2O2/c1-3-10-17-12-19(16(20)21-4-2)11-9-15(17)18-14-8-6-5-7-13(14)17/h3,5-8H,1,4,9-12H2,2H3
InChIKeyKEAMUMPZGBPROV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.45
Rot. Bonds3

About ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (PubChem CID 102406839) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
PubChem CID102406839
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
SMILESC=CCC12CN(C(=O)OCC)CCC1=Nc1ccccc12
InChIInChI=1S/C17H20N2O2/c1-3-10-17-12-19(16(20)21-4-2)11-9-15(17)18-14-8-6-5-7-13(14)17/h3,5-8H,1,4,9-12H2,2H3
InChIKeyKEAMUMPZGBPROV-UHFFFAOYSA-N
XLogP3.45
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 4-(2-aminophenyl)piperidine-1-carboxylate
CID 22266191
Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-
CID 370424
tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
2'-Tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
CID 67374721
2-Tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
CID 67375458
Tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 67375460
Tert-butyl 4-(trifluoromethyl)spiro[indole-3,4'-piperidine]-1'-carboxylate
CID 118195861
N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 167106132
tert-butyl (3R)-3-fluoro-4-[(2-propan-2-ylphenyl)iminomethyl]piperidine-1-carboxylate
CID 167457150
Tert-butyl 2-methylspiro[indole-3,4'-piperidine]-1'-carboxylate
CID 132327585
CID 135026077
CID 135026077
tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate
CID 135067536

Frequently Asked Questions

What is the IUPAC name of ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?
The IUPAC name of ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (CID 102406839) is ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?
The canonical SMILES for ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is C=CCC12CN(C(=O)OCC)CCC1=Nc1ccccc12.
What is the InChIKey of ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?
The InChIKey is KEAMUMPZGBPROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-10-17-12-19(16(20)21-4-2)11-9-15(17)18-14-8-6-5-7-13(14)17/h3,5-8H,1,4,9-12H2,2H3.
What are the key properties of ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?
ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 102406839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).