N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide

C20H24N2O3 — CID 23310261

IUPACN-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C20H24N2O3/c23-17-15-13-1-2-14(6-13)16(15)18(24)22(17)21-19(25)20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,10-16H,3-9H2,(H,21,25)/t10?,11?,12?,13-,14-,15-,16+,20?/m0/s1
InChIKeyNOZQPOBODIBCFC-PZCPUNMNSA-N
MW340.42 g/mol
LogP2.04
Rot. Bonds2

About N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide

N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide (PubChem CID 23310261) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide
PubChem CID23310261
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C20H24N2O3/c23-17-15-13-1-2-14(6-13)16(15)18(24)22(17)21-19(25)20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,10-16H,3-9H2,(H,21,25)/t10?,11?,12?,13-,14-,15-,16+,20?/m0/s1
InChIKeyNOZQPOBODIBCFC-PZCPUNMNSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide (CID 23310261) is N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide is O=C1[C@@H]2[C@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C1.
What is the InChIKey of N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide?
The InChIKey is NOZQPOBODIBCFC-PZCPUNMNSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-17-15-13-1-2-14(6-13)16(15)18(24)22(17)21-19(25)20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,10-16H,3-9H2,(H,21,25)/t10?,11?,12?,13-,14-,15-,16+,20?/m0/s1.
What are the key properties of N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide?
N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 23310261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).