N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide

C17H18N2O4 — CID 99720198

IUPACN-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide
SMILESCC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]12
InChIInChI=1S/C17H18N2O4/c1-8(2)12-9-5-6-10(12)14-13(9)16(21)19(17(14)22)18-15(20)11-4-3-7-23-11/h3-4,7,9-10,13-14H,5-6H2,1-2H3,(H,18,20)/t9-,10-,13-,14-/m0/s1
InChIKeyXMLLJWLJLCSFBK-NUZBWSBOSA-N
MW314.34 g/mol
LogP1.90
Rot. Bonds2

About N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide

N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide (PubChem CID 99720198) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide
PubChem CID99720198
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide
SMILESCC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]12
InChIInChI=1S/C17H18N2O4/c1-8(2)12-9-5-6-10(12)14-13(9)16(21)19(17(14)22)18-15(20)11-4-3-7-23-11/h3-4,7,9-10,13-14H,5-6H2,1-2H3,(H,18,20)/t9-,10-,13-,14-/m0/s1
InChIKeyXMLLJWLJLCSFBK-NUZBWSBOSA-N
XLogP1.90
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propan-2-ylthiophene-3-carboxamide
CID 6571489
N-[(1S,2R,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-methyl-4-phenylthiophene-3-carboxamide
CID 98336947
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(2H-1,3-thiazol-3-yl)furan-2-carboxamide
CID 159808247
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide
CID 4171551
(1R,2R,6R,7R)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98124505
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-cyclooctylfuran-2-carboxamide
CID 790432
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide (CID 99720198) is N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide is CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]12.
What is the InChIKey of N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide?
The InChIKey is XMLLJWLJLCSFBK-NUZBWSBOSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-8(2)12-9-5-6-10(12)14-13(9)16(21)19(17(14)22)18-15(20)11-4-3-7-23-11/h3-4,7,9-10,13-14H,5-6H2,1-2H3,(H,18,20)/t9-,10-,13-,14-/m0/s1.
What are the key properties of N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide?
N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide is sourced from PubChem (CID 99720198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).