calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride

C6H9CaNO — CID 174984961

IUPACcalcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride
SMILESO=C1CC2CC=CN12.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H7NO.Ca.2H/c8-6-4-5-2-1-3-7(5)6;;;/h1,3,5H,2,4H2;;;/q;+2;2*-1
InChIKeyPEKRXGICQAVLRI-UHFFFAOYSA-N
MW151.22 g/mol
LogP0.35
Rot. Bonds

About calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride

calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride (PubChem CID 174984961) has the molecular formula C6H9CaNO and a molecular weight of 151.22 g/mol. Its IUPAC name is calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride.

Molecular Properties

Compound Namecalcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride
PubChem CID174984961
Molecular FormulaC6H9CaNO
Molecular Weight151.22 g/mol
Exact Mass151.03
IUPAC Namecalcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride
SMILESO=C1CC2CC=CN12.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H7NO.Ca.2H/c8-6-4-5-2-1-3-7(5)6;;;/h1,3,5H,2,4H2;;;/q;+2;2*-1
InChIKeyPEKRXGICQAVLRI-UHFFFAOYSA-N
XLogP0.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride?
The IUPAC name of calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride (CID 174984961) is calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride.
What is the SMILES notation for calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride?
The canonical SMILES for calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride is O=C1CC2CC=CN12.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride?
The InChIKey is PEKRXGICQAVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.Ca.2H/c8-6-4-5-2-1-3-7(5)6;;;/h1,3,5H,2,4H2;;;/q;+2;2*-1.
What are the key properties of calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride?
calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride has a molecular weight of 151.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride is sourced from PubChem (CID 174984961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).