N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide

C13H16N2O2 — CID 7290216

IUPACN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1
InChIInChI=1S/C13H16N2O2/c16-13(12-2-1-5-17-12)15-14-8-11-7-9-3-4-10(11)6-9/h1-2,5,8-11H,3-4,6-7H2,(H,15,16)/b14-8-/t9-,10-,11-/m0/s1
InChIKeyOECOHRVWINQQES-HSQWMNLBSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds3

About N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide

N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide (PubChem CID 7290216) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
PubChem CID7290216
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1
InChIInChI=1S/C13H16N2O2/c16-13(12-2-1-5-17-12)15-14-8-11-7-9-3-4-10(11)6-9/h1-2,5,8-11H,3-4,6-7H2,(H,15,16)/b14-8-/t9-,10-,11-/m0/s1
InChIKeyOECOHRVWINQQES-HSQWMNLBSA-N
XLogP2.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.43
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-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
trans-(1S,2S)-N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 50930149
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-5-chloro-2-hydroxybenzamide
CID 11880265
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dimethoxybenzamide
CID 7449031
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 98330842
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 40549864
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-3,4,5-triethoxybenzamide
CID 3472561
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174446
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
CID 7438142
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide (CID 7290216) is N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide is O=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1.
What is the InChIKey of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide?
The InChIKey is OECOHRVWINQQES-HSQWMNLBSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(12-2-1-5-17-12)15-14-8-11-7-9-3-4-10(11)6-9/h1-2,5,8-11H,3-4,6-7H2,(H,15,16)/b14-8-/t9-,10-,11-/m0/s1.
What are the key properties of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide?
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 7290216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).