tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate

C10H13NO3 — CID 45091867

IUPACtert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C\c1ccco1
InChIInChI=1S/C10H13NO3/c1-10(2,3)14-9(12)11-7-8-5-4-6-13-8/h4-7H,1-3H3/b11-7-
InChIKeyJWINSALVKKPBML-XFFZJAGNSA-N
MW195.22 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate

tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate (PubChem CID 45091867) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
PubChem CID45091867
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nametert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C\c1ccco1
InChIInChI=1S/C10H13NO3/c1-10(2,3)14-9(12)11-7-8-5-4-6-13-8/h4-7H,1-3H3/b11-7-
InChIKeyJWINSALVKKPBML-XFFZJAGNSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.63
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

tert-butyl (NE)-N-[(2-bromophenyl)methylidene]carbamate
CID 11666353
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
CID 11858848
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
CID 11481157
tert-butyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate
CID 135083551
(E)-1-(furan-2-yl)-N-[(Z)-1-trimethylsilyloxyprop-1-enyl]methanimine
CID 135039350
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
tert-butyl N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 56933869
1-(furan-2-yl)-N-hydroperoxymethanimine
CID 131862046
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate?
The IUPAC name of tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate (CID 45091867) is tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate?
The canonical SMILES for tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate is CC(C)(C)OC(=O)/N=C\c1ccco1.
What is the InChIKey of tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate?
The InChIKey is JWINSALVKKPBML-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)14-9(12)11-7-8-5-4-6-13-8/h4-7H,1-3H3/b11-7-.
What are the key properties of tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate?
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate has a molecular weight of 195.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate is sourced from PubChem (CID 45091867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).