N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide

C14H16N2O2 — CID 8518841

IUPACN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)c(C)o1
InChIInChI=1S/C14H16N2O2/c1-8-6-12(9(2)18-8)14(17)16-15-13-7-10-4-3-5-11(10)13/h3-4,6,10-11H,5,7H2,1-2H3,(H,16,17)/b15-13-/t10-,11-/m0/s1
InChIKeyATXIGVJTSHVELD-COSLTZMUSA-N
MW244.29 g/mol
LogP2.58
Rot. Bonds2

About N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518841) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518841
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)c(C)o1
InChIInChI=1S/C14H16N2O2/c1-8-6-12(9(2)18-8)14(17)16-15-13-7-10-4-3-5-11(10)13/h3-4,6,10-11H,5,7H2,1-2H3,(H,16,17)/b15-13-/t10-,11-/m0/s1
InChIKeyATXIGVJTSHVELD-COSLTZMUSA-N
XLogP2.58
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.58
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-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 7929165
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9156049
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
CID 8518721
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216686
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
CID 9241684
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
(5R)-N-[[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 129431639
4-amino-N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214710

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide (CID 8518841) is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)c(C)o1.
What is the InChIKey of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ATXIGVJTSHVELD-COSLTZMUSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-6-12(9(2)18-8)14(17)16-15-13-7-10-4-3-5-11(10)13/h3-4,6,10-11H,5,7H2,1-2H3,(H,16,17)/b15-13-/t10-,11-/m0/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).