(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione

C8H11NO2 — CID 146049447

IUPAC(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione
SMILESCC1(C)C(=O)[C@H]2CC(=O)N[C@H]21
InChIInChI=1S/C8H11NO2/c1-8(2)6-4(7(8)11)3-5(10)9-6/h4,6H,3H2,1-2H3,(H,9,10)/t4-,6+/m0/s1
InChIKeyFLCMAYUPYMVBIS-UJURSFKZSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds

About (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione

(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione (PubChem CID 146049447) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione.

Molecular Properties

Compound Name(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione
PubChem CID146049447
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione
SMILESCC1(C)C(=O)[C@H]2CC(=O)N[C@H]21
InChIInChI=1S/C8H11NO2/c1-8(2)6-4(7(8)11)3-5(10)9-6/h4,6H,3H2,1-2H3,(H,9,10)/t4-,6+/m0/s1
InChIKeyFLCMAYUPYMVBIS-UJURSFKZSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione?
The IUPAC name of (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione (CID 146049447) is (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione.
What is the SMILES notation for (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione?
The canonical SMILES for (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione is CC1(C)C(=O)[C@H]2CC(=O)N[C@H]21.
What is the InChIKey of (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione?
The InChIKey is FLCMAYUPYMVBIS-UJURSFKZSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2)6-4(7(8)11)3-5(10)9-6/h4,6H,3H2,1-2H3,(H,9,10)/t4-,6+/m0/s1.
What are the key properties of (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione?
(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione has a molecular weight of 153.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione is sourced from PubChem (CID 146049447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).