N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide

C12H14N2O2 — CID 2828440

IUPACN-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
SMILESO=C(NN=Cc1ccco1)C1CC12CCC2
InChIInChI=1S/C12H14N2O2/c15-11(10-7-12(10)4-2-5-12)14-13-8-9-3-1-6-16-9/h1,3,6,8,10H,2,4-5,7H2,(H,14,15)
InChIKeyRZGHZNUXOALYES-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.92
Rot. Bonds3

About N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide

N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide (PubChem CID 2828440) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
PubChem CID2828440
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
SMILESO=C(NN=Cc1ccco1)C1CC12CCC2
InChIInChI=1S/C12H14N2O2/c15-11(10-7-12(10)4-2-5-12)14-13-8-9-3-1-6-16-9/h1,3,6,8,10H,2,4-5,7H2,(H,14,15)
InChIKeyRZGHZNUXOALYES-UHFFFAOYSA-N
XLogP1.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 137253718
N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 2832984
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 5341260
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 4258491
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide
CID 3782037
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide (CID 2828440) is N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide is O=C(NN=Cc1ccco1)C1CC12CCC2.
What is the InChIKey of N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide?
The InChIKey is RZGHZNUXOALYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(10-7-12(10)4-2-5-12)14-13-8-9-3-1-6-16-9/h1,3,6,8,10H,2,4-5,7H2,(H,14,15).
What are the key properties of N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide?
N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 2828440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).