tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate

C11H14N2O2 — CID 11481157

IUPACtert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C/c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h4-8H,1-3H3/b13-8+
InChIKeyMGGXUONFFZSBCQ-MDWZMJQESA-N
MW206.25 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate

tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate (PubChem CID 11481157) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
PubChem CID11481157
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nametert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C/c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h4-8H,1-3H3/b13-8+
InChIKeyMGGXUONFFZSBCQ-MDWZMJQESA-N
XLogP2.44
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.44
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 2-oxo-4-pyridin-3-ylbut-3-enoate
CID 54388748
tert-butyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate
CID 135083551
tert-butyl N-[[3-(trifluoromethoxy)phenyl]methylidene]carbamate
CID 123544531
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
2-(pyridin-3-ylmethylideneamino)acetic acid
CID 45082526
1-pyridin-3-yl-N-(1-trimethylsilyloxyethenyl)methanimine
CID 70263922
tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
CID 22144483
tert-butyl N-methyl-N-(5-pyridin-3-ylpent-4-en-2-yl)carbamate
CID 54198020
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate?
The IUPAC name of tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate (CID 11481157) is tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate.
What is the SMILES notation for tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate?
The canonical SMILES for tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate is CC(C)(C)OC(=O)/N=C/c1cccnc1.
What is the InChIKey of tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate?
The InChIKey is MGGXUONFFZSBCQ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h4-8H,1-3H3/b13-8+.
What are the key properties of tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate?
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate has a molecular weight of 206.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate is sourced from PubChem (CID 11481157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).