tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate

C16H21NO3 — CID 67498547

IUPACtert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate
SMILESCOc1ccc2c(c1)C(=NC(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-8-9-12(19-4)10-13(11)14/h8-10H,5-7H2,1-4H3
InChIKeyGEHBCGNQUGATTA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.76
Rot. Bonds1

About tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate

tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate (PubChem CID 67498547) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate
PubChem CID67498547
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nametert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate
SMILESCOc1ccc2c(c1)C(=NC(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-8-9-12(19-4)10-13(11)14/h8-10H,5-7H2,1-4H3
InChIKeyGEHBCGNQUGATTA-UHFFFAOYSA-N
XLogP3.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 4-butoxybenzoate
CID 6090314
methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
CID 148980202
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
tert-butyl N-methylcarbamate;7-(2-chloro-5-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 144987202
[(Z)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino] methanesulfonate
CID 86723699
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 154862519
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
lithium tert-butyl (NZ)-N-(4-methoxycyclohexa-2,4-dien-1-ylidene)carbamate
CID 10799409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate?
The IUPAC name of tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate (CID 67498547) is tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate.
What is the SMILES notation for tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate?
The canonical SMILES for tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate is COc1ccc2c(c1)C(=NC(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate?
The InChIKey is GEHBCGNQUGATTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-8-9-12(19-4)10-13(11)14/h8-10H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate?
tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate is sourced from PubChem (CID 67498547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).