N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide

C12H12N2O2 — CID 6001760

IUPACN-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C1\CC2C=CCC12)c1ccco1
InChIInChI=1S/C12H12N2O2/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10+
InChIKeyYKSLVXUPCZDIFI-JLHYYAGUSA-N
MW216.24 g/mol
LogP1.96
Rot. Bonds2

About N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide

N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide (PubChem CID 6001760) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
PubChem CID6001760
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C1\CC2C=CCC12)c1ccco1
InChIInChI=1S/C12H12N2O2/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10+
InChIKeyYKSLVXUPCZDIFI-JLHYYAGUSA-N
XLogP1.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]furan-2-carboxamide
CID 89404417
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
CID 4059323
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 8518841
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
4-amino-N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214710
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
CID 7967526
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
CID 177440990
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CID 18274046

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide (CID 6001760) is N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide is O=C(N/N=C1\CC2C=CCC12)c1ccco1.
What is the InChIKey of N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide?
The InChIKey is YKSLVXUPCZDIFI-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10+.
What are the key properties of N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide?
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6001760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).