propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C16H19NO2 — CID 50888406

IUPACpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCCCOC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C16H19NO2/c1-2-10-19-16(18)13-8-5-7-12-11-6-3-4-9-14(11)17-15(12)13/h5,7-8,17H,2-4,6,9-10H2,1H3
InChIKeyZLDZUYOUFBIBFU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.61
Rot. Bonds3

About propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 50888406) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Namepropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID50888406
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namepropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCCCOC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C16H19NO2/c1-2-10-19-16(18)13-8-5-7-12-11-6-3-4-9-14(11)17-15(12)13/h5,7-8,17H,2-4,6,9-10H2,1H3
InChIKeyZLDZUYOUFBIBFU-UHFFFAOYSA-N
XLogP3.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 56799241
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564790
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-methyl-N-[4-(methylamino)-4-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56754565
(1,1-dioxothian-3-yl) 5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylate
CID 102559253
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
1-(5,6,7,8,9,10,11,12-octahydrocyclonona[b]indol-4-yl)nonan-1-imine
CID 170099529
propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CID 22745349

Frequently Asked Questions

What is the IUPAC name of propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 50888406) is propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is CCCOC(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is ZLDZUYOUFBIBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-10-19-16(18)13-8-5-7-12-11-6-3-4-9-14(11)17-15(12)13/h5,7-8,17H,2-4,6,9-10H2,1H3.
What are the key properties of propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 50888406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).