6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane

C13H17N — CID 19963580

IUPAC6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCc1cccc(C2CC3CNCC32)c1
InChIInChI=1S/C13H17N/c1-9-3-2-4-10(5-9)12-6-11-7-14-8-13(11)12/h2-5,11-14H,6-8H2,1H3
InChIKeyYONGCLDEMCSDDR-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.32
Rot. Bonds1

About 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane

6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 19963580) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID19963580
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCc1cccc(C2CC3CNCC32)c1
InChIInChI=1S/C13H17N/c1-9-3-2-4-10(5-9)12-6-11-7-14-8-13(11)12/h2-5,11-14H,6-8H2,1H3
InChIKeyYONGCLDEMCSDDR-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane (CID 19963580) is 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane is Cc1cccc(C2CC3CNCC32)c1.
What is the InChIKey of 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is YONGCLDEMCSDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-3-2-4-10(5-9)12-6-11-7-14-8-13(11)12/h2-5,11-14H,6-8H2,1H3.
What are the key properties of 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane?
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 19963580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).