tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate

C11H16N2O3 — CID 3874602

IUPACtert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
SMILESCC(=NNC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C11H16N2O3/c1-8(9-6-5-7-15-9)12-13-10(14)16-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyHWHKIBIMLPQWAL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate

tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate (PubChem CID 3874602) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
PubChem CID3874602
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
SMILESCC(=NNC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C11H16N2O3/c1-8(9-6-5-7-15-9)12-13-10(14)16-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyHWHKIBIMLPQWAL-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]carbamate
CID 42996807
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate (CID 3874602) is tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate is CC(=NNC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate?
The InChIKey is HWHKIBIMLPQWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(9-6-5-7-15-9)12-13-10(14)16-11(2,3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate?
tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate has a molecular weight of 224.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate is sourced from PubChem (CID 3874602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).