(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene

C8H10ClN — CID 137470493

IUPAC(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene
SMILESC[C@@H]1CC(Cl)=CC2=C1NC2
InChIInChI=1S/C8H10ClN/c1-5-2-7(9)3-6-4-10-8(5)6/h3,5,10H,2,4H2,1H3/t5-/m1/s1
InChIKeySQXGKDZXHDGTPI-RXMQYKEDSA-N
MW155.63 g/mol
LogP2.01
Rot. Bonds

About (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene

(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene (PubChem CID 137470493) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene.

Molecular Properties

Compound Name(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene
PubChem CID137470493
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene
SMILESC[C@@H]1CC(Cl)=CC2=C1NC2
InChIInChI=1S/C8H10ClN/c1-5-2-7(9)3-6-4-10-8(5)6/h3,5,10H,2,4H2,1H3/t5-/m1/s1
InChIKeySQXGKDZXHDGTPI-RXMQYKEDSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene?
The IUPAC name of (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene (CID 137470493) is (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene.
What is the SMILES notation for (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene?
The canonical SMILES for (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene is C[C@@H]1CC(Cl)=CC2=C1NC2.
What is the InChIKey of (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene?
The InChIKey is SQXGKDZXHDGTPI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN/c1-5-2-7(9)3-6-4-10-8(5)6/h3,5,10H,2,4H2,1H3/t5-/m1/s1.
What are the key properties of (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene?
(5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene has a molecular weight of 155.63 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-5-methyl-7-azabicyclo[4.2.0]octa-1(6),2-diene is sourced from PubChem (CID 137470493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).