tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate

C15H19NO3 — CID 84806782

IUPACtert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C=O)cc2c1CCC2
InChIInChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-13-8-10(9-17)7-11-5-4-6-12(11)13/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyCFZPLVHPPXQNIL-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate

tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate (PubChem CID 84806782) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate
PubChem CID84806782
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C=O)cc2c1CCC2
InChIInChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-13-8-10(9-17)7-11-5-4-6-12(11)13/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyCFZPLVHPPXQNIL-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate 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

tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-(5-formyl-2-propan-2-ylsulfanylphenyl)carbamate
CID 84815539
tert-butyl N-(2-formyl-3,5-dimethylphenyl)carbamate
CID 84803743
tert-butyl N-(11-formyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)carbamate
CID 176729861
tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
tert-butyl N-[5-formyl-2-(methoxymethoxy)phenyl]carbamate
CID 172603546
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate (CID 84806782) is tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(C=O)cc2c1CCC2.
What is the InChIKey of tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate?
The InChIKey is CFZPLVHPPXQNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-13-8-10(9-17)7-11-5-4-6-12(11)13/h7-9H,4-6H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate?
tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate is sourced from PubChem (CID 84806782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).