(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione

C12H19NO2 — CID 70515730

IUPAC(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione
SMILESCC(C)[C@@H]1C(=O)N2C1CCC(=O)C2(C)C
InChIInChI=1S/C12H19NO2/c1-7(2)10-8-5-6-9(14)12(3,4)13(8)11(10)15/h7-8,10H,5-6H2,1-4H3/t8?,10-/m0/s1
InChIKeyDDZZIGIQNPBIIQ-HTLJXXAVSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds1

About (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione

(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione (PubChem CID 70515730) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione.

Molecular Properties

Compound Name(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione
PubChem CID70515730
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione
SMILESCC(C)[C@@H]1C(=O)N2C1CCC(=O)C2(C)C
InChIInChI=1S/C12H19NO2/c1-7(2)10-8-5-6-9(14)12(3,4)13(8)11(10)15/h7-8,10H,5-6H2,1-4H3/t8?,10-/m0/s1
InChIKeyDDZZIGIQNPBIIQ-HTLJXXAVSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione?
The IUPAC name of (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione (CID 70515730) is (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione.
What is the SMILES notation for (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione?
The canonical SMILES for (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione is CC(C)[C@@H]1C(=O)N2C1CCC(=O)C2(C)C.
What is the InChIKey of (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione?
The InChIKey is DDZZIGIQNPBIIQ-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(2)10-8-5-6-9(14)12(3,4)13(8)11(10)15/h7-8,10H,5-6H2,1-4H3/t8?,10-/m0/s1.
What are the key properties of (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione?
(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione has a molecular weight of 209.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione is sourced from PubChem (CID 70515730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).