(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C14H20N2O2 — CID 16724128

IUPAC(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)[C@]2(C)C(C)[C@@]1(C)[C@@H]1C(=O)N(N)C(=O)[C@@H]12
InChIInChI=1S/C14H20N2O2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(18)16(15)11(9)17/h8-10H,15H2,1-5H3/t8?,9-,10+,13-,14+
InChIKeyZAVIKWNCQRASNX-HUUCOAIWSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds

About (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 16724128) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID16724128
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)[C@]2(C)C(C)[C@@]1(C)[C@@H]1C(=O)N(N)C(=O)[C@@H]12
InChIInChI=1S/C14H20N2O2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(18)16(15)11(9)17/h8-10H,15H2,1-5H3/t8?,9-,10+,13-,14+
InChIKeyZAVIKWNCQRASNX-HUUCOAIWSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 16724128) is (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC1=C(C)[C@]2(C)C(C)[C@@]1(C)[C@@H]1C(=O)N(N)C(=O)[C@@H]12.
What is the InChIKey of (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is ZAVIKWNCQRASNX-HUUCOAIWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(18)16(15)11(9)17/h8-10H,15H2,1-5H3/t8?,9-,10+,13-,14+.
What are the key properties of (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 248.33 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 16724128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).