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

C17H21NO2 — CID 50888414

IUPAC2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCC(C)COC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C17H21NO2/c1-11(2)10-20-17(19)14-8-5-7-13-12-6-3-4-9-15(12)18-16(13)14/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3
InChIKeyVRZKTGVYTMIFHY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.86
Rot. Bonds3

About 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 50888414) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID50888414
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCC(C)COC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C17H21NO2/c1-11(2)10-20-17(19)14-8-5-7-13-12-6-3-4-9-15(12)18-16(13)14/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3
InChIKeyVRZKTGVYTMIFHY-UHFFFAOYSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-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

propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 56799241
[(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
(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
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 50888414) is 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is CC(C)COC(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is VRZKTGVYTMIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)10-20-17(19)14-8-5-7-13-12-6-3-4-9-15(12)18-16(13)14/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 50888414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).