tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

C18H21NO3 — CID 101484626

IUPACtert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2c(c3ccccc31)CCC[C@H]2C=O
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)19/h4-5,8,10-12H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyISDDFKQXJPHYBP-LBPRGKRZSA-N
MW299.37 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (PubChem CID 101484626) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
PubChem CID101484626
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nametert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2c(c3ccccc31)CCC[C@H]2C=O
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)19/h4-5,8,10-12H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyISDDFKQXJPHYBP-LBPRGKRZSA-N
XLogP4.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The IUPAC name of tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (CID 101484626) is tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.
What is the SMILES notation for tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The canonical SMILES for tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is CC(C)(C)OC(=O)n1c2c(c3ccccc31)CCC[C@H]2C=O.
What is the InChIKey of tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The InChIKey is ISDDFKQXJPHYBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)19/h4-5,8,10-12H,6-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is sourced from PubChem (CID 101484626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).