N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide

C16H20N2O2 — CID 129439556

IUPACN-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)[C@@H]1[C@H]2C=C[C@@H](C2)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-10(17-18-15(19)13-5-4-8-20-13)14-11-6-7-12(9-11)16(14,2)3/h4-8,11-12,14H,9H2,1-3H3,(H,18,19)/t11-,12-,14+/m0/s1
InChIKeyMXNSHUQATDRIAE-SGMGOOAPSA-N
MW272.35 g/mol
LogP3.23
Rot. Bonds3

About N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide

N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide (PubChem CID 129439556) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide
PubChem CID129439556
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)[C@@H]1[C@H]2C=C[C@@H](C2)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-10(17-18-15(19)13-5-4-8-20-13)14-11-6-7-12(9-11)16(14,2)3/h4-8,11-12,14H,9H2,1-3H3,(H,18,19)/t11-,12-,14+/m0/s1
InChIKeyMXNSHUQATDRIAE-SGMGOOAPSA-N
XLogP3.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.23
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)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CID 18274046
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
CID 760185
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide (CID 129439556) is N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide is CC(=NNC(=O)c1ccco1)[C@@H]1[C@H]2C=C[C@@H](C2)C1(C)C.
What is the InChIKey of N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is MXNSHUQATDRIAE-SGMGOOAPSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(17-18-15(19)13-5-4-8-20-13)14-11-6-7-12(9-11)16(14,2)3/h4-8,11-12,14H,9H2,1-3H3,(H,18,19)/t11-,12-,14+/m0/s1.
What are the key properties of N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide?
N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 129439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).