(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C12H15NO2 — CID 639346

IUPAC(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)NC(=O)[C@H]12
InChIInChI=1S/C12H15NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h6-7,9-10H,3-4H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-
InChIKeyMOTBPVCOQQBGNY-SWOGREBESA-N
MW205.26 g/mol
LogP1.25
Rot. Bonds

About (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 639346) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID639346
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)NC(=O)[C@H]12
InChIInChI=1S/C12H15NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h6-7,9-10H,3-4H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-
InChIKeyMOTBPVCOQQBGNY-SWOGREBESA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 639346) is (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)NC(=O)[C@H]12.
What is the InChIKey of (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is MOTBPVCOQQBGNY-SWOGREBESA-N. The full InChI is InChI=1S/C12H15NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h6-7,9-10H,3-4H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-.
What are the key properties of (1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.25, 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)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 639346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).