(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one

C16H24N2O2 — CID 102005518

IUPAC(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
SMILESCC(=O)N1C(=O)N[C@@H]2[C@H]1[C@]1(C)C(C)=C(C)[C@@]2(C)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-8-9(2)16(7)12-11(15(8,6)14(16,4)5)17-13(20)18(12)10(3)19/h11-12H,1-7H3,(H,17,20)/t11-,12+,15-,16+/m1/s1
InChIKeyOFTFCNYUDPIJGI-KOZAUXTDSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds

About (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one

(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one (PubChem CID 102005518) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one.

Molecular Properties

Compound Name(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
PubChem CID102005518
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
SMILESCC(=O)N1C(=O)N[C@@H]2[C@H]1[C@]1(C)C(C)=C(C)[C@@]2(C)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-8-9(2)16(7)12-11(15(8,6)14(16,4)5)17-13(20)18(12)10(3)19/h11-12H,1-7H3,(H,17,20)/t11-,12+,15-,16+/m1/s1
InChIKeyOFTFCNYUDPIJGI-KOZAUXTDSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one with MolForge

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Related Compounds

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(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
CID 101119798
4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one
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(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 56690032
(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 95987832
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
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(5S)-1-acetyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 56951615
2-acetyl-2-methylcyclopropan-1-one
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CID 89146118
CID 89146118
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one?
The IUPAC name of (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one (CID 102005518) is (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one.
What is the SMILES notation for (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one?
The canonical SMILES for (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one is CC(=O)N1C(=O)N[C@@H]2[C@H]1[C@]1(C)C(C)=C(C)[C@@]2(C)C1(C)C.
What is the InChIKey of (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one?
The InChIKey is OFTFCNYUDPIJGI-KOZAUXTDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-8-9(2)16(7)12-11(15(8,6)14(16,4)5)17-13(20)18(12)10(3)19/h11-12H,1-7H3,(H,17,20)/t11-,12+,15-,16+/m1/s1.
What are the key properties of (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one?
(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one is sourced from PubChem (CID 102005518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).