(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride

C6H8ClNO — CID 131725880

IUPAC(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride
SMILESCl.O=C1C[C@H]2CC=CN12
InChIInChI=1S/C6H7NO.ClH/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;1H/t5-;/m1./s1
InChIKeyDOYRRUYPXJIRLU-NUBCRITNSA-N
MW145.59 g/mol
LogP0.93
Rot. Bonds

About (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride

(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride (PubChem CID 131725880) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride.

Molecular Properties

Compound Name(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride
PubChem CID131725880
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride
SMILESCl.O=C1C[C@H]2CC=CN12
InChIInChI=1S/C6H7NO.ClH/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;1H/t5-;/m1./s1
InChIKeyDOYRRUYPXJIRLU-NUBCRITNSA-N
XLogP0.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride?
The IUPAC name of (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride (CID 131725880) is (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride.
What is the SMILES notation for (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride?
The canonical SMILES for (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride is Cl.O=C1C[C@H]2CC=CN12.
What is the InChIKey of (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride?
The InChIKey is DOYRRUYPXJIRLU-NUBCRITNSA-N. The full InChI is InChI=1S/C6H7NO.ClH/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;1H/t5-;/m1./s1.
What are the key properties of (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride?
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride has a molecular weight of 145.59 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrochloride is sourced from PubChem (CID 131725880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).