N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide

C14H16N2O2 — CID 5454793

IUPACN-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H16N2O2/c1-9-13(4-5-18-9)14(17)16-15-8-12-7-10-2-3-11(12)6-10/h2-5,8,10-12H,6-7H2,1H3,(H,16,17)/b15-8-/t10-,11+,12-/m1/s1
InChIKeyNUPFPBLLUREADH-ALOOTEAYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds3

About N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5454793) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5454793
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H16N2O2/c1-9-13(4-5-18-9)14(17)16-15-8-12-7-10-2-3-11(12)6-10/h2-5,8,10-12H,6-7H2,1H3,(H,16,17)/b15-8-/t10-,11+,12-/m1/s1
InChIKeyNUPFPBLLUREADH-ALOOTEAYSA-N
XLogP2.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.52
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-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695
N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 46804310
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 5454793) is N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is NUPFPBLLUREADH-ALOOTEAYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-13(4-5-18-9)14(17)16-15-8-12-7-10-2-3-11(12)6-10/h2-5,8,10-12H,6-7H2,1H3,(H,16,17)/b15-8-/t10-,11+,12-/m1/s1.
What are the key properties of N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5454793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).