tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate

C17H20N2O2 — CID 123260450

IUPACtert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C1/CCCc2c(C#N)cccc21
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-11-13-7-5-8-14-12(10-18)6-4-9-15(13)14/h4,6,9,11H,5,7-8H2,1-3H3,(H,19,20)/b13-11-
InChIKeyPIHFSVWZAVYSEL-QBFSEMIESA-N
MW284.36 g/mol
LogP3.76
Rot. Bonds1

About tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate

tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate (PubChem CID 123260450) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate
PubChem CID123260450
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C1/CCCc2c(C#N)cccc21
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-11-13-7-5-8-14-12(10-18)6-4-9-15(13)14/h4,6,9,11H,5,7-8H2,1-3H3,(H,19,20)/b13-11-
InChIKeyPIHFSVWZAVYSEL-QBFSEMIESA-N
XLogP3.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(E)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]carbamate
CID 123931065
tert-butyl N-(cyclopentylidenemethyl)carbamate
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tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
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tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
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tert-butyl N-[2-[(2-chloroacetyl)-[[(1S)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]amino]ethyl]carbamate
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tert-butyl 8-cyano-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83445612
tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate
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tert-butyl N-[4-(2-cyanophenyl)phenyl]-N-methylcarbamate
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tert-butyl N-[4-(3-cyano-2-pyridinyl)but-3-enyl]carbamate
CID 170490103
tert-butyl N-[(3R)-1-[4-(2-cyanophenyl)phenyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate (CID 123260450) is tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate is CC(C)(C)OC(=O)N/C=C1/CCCc2c(C#N)cccc21.
What is the InChIKey of tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate?
The InChIKey is PIHFSVWZAVYSEL-QBFSEMIESA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-11-13-7-5-8-14-12(10-18)6-4-9-15(13)14/h4,6,9,11H,5,7-8H2,1-3H3,(H,19,20)/b13-11-.
What are the key properties of tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate?
tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-(5-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]carbamate is sourced from PubChem (CID 123260450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).