tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate

C17H22N2O2 — CID 130119912

IUPACtert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(C#N)cc21
InChIInChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-14-9-17(4,5)13-7-6-11(10-18)8-12(13)14/h6-8,14H,9H2,1-5H3,(H,19,20)
InChIKeySXZGYEZUJXVBGP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.81
Rot. Bonds1

About tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate

tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate (PubChem CID 130119912) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
PubChem CID130119912
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(C#N)cc21
InChIInChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-14-9-17(4,5)13-7-6-11(10-18)8-12(13)14/h6-8,14H,9H2,1-5H3,(H,19,20)
InChIKeySXZGYEZUJXVBGP-UHFFFAOYSA-N
XLogP3.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-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-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130067133
1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
CID 10063698
tert-butyl N-[(3S)-7-cyano-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamate
CID 90351164
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
tert-butyl N-[(3S)-7-cyano-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 68757541
tert-butyl N-[3-(2-chloro-5-cyanoanilino)cyclobutyl]carbamate
CID 103759680
tert-butyl N-[2-(4-cyano-2-cyclopropylphenoxy)ethyl]carbamate
CID 170995630
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-[2-[(3-cyanophenyl)methylamino]cyclopropyl]carbamate
CID 107238080
tert-butyl N-[1-(5-cyano-2-nitrophenyl)piperidin-4-yl]carbamate
CID 133328190
tert-butyl N-[7-[(3-cyanophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 59496742
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 144805024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate (CID 130119912) is tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate is CC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(C#N)cc21.
What is the InChIKey of tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The InChIKey is SXZGYEZUJXVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-14-9-17(4,5)13-7-6-11(10-18)8-12(13)14/h6-8,14H,9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate has a molecular weight of 286.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 130119912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).