(4S)-3-azatricyclo[3.2.0.02,4]heptane

C6H9N — CID 163720320

IUPAC(4S)-3-azatricyclo[3.2.0.02,4]heptane
SMILESC1CC2C1C1N[C@@H]21
InChIInChI=1S/C6H9N/c1-2-4-3(1)5-6(4)7-5/h3-7H,1-2H2/t3?,4?,5-,6?/m0/s1
InChIKeyKQZLJBRAOHMABS-CTQIIAAMSA-N
MW95.15 g/mol
LogP0.37
Rot. Bonds

About (4S)-3-azatricyclo[3.2.0.02,4]heptane

(4S)-3-azatricyclo[3.2.0.02,4]heptane (PubChem CID 163720320) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is (4S)-3-azatricyclo[3.2.0.02,4]heptane.

Molecular Properties

Compound Name(4S)-3-azatricyclo[3.2.0.02,4]heptane
PubChem CID163720320
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC Name(4S)-3-azatricyclo[3.2.0.02,4]heptane
SMILESC1CC2C1C1N[C@@H]21
InChIInChI=1S/C6H9N/c1-2-4-3(1)5-6(4)7-5/h3-7H,1-2H2/t3?,4?,5-,6?/m0/s1
InChIKeyKQZLJBRAOHMABS-CTQIIAAMSA-N
XLogP0.37
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-azatricyclo[3.2.0.02,4]heptane?
The IUPAC name of (4S)-3-azatricyclo[3.2.0.02,4]heptane (CID 163720320) is (4S)-3-azatricyclo[3.2.0.02,4]heptane.
What is the SMILES notation for (4S)-3-azatricyclo[3.2.0.02,4]heptane?
The canonical SMILES for (4S)-3-azatricyclo[3.2.0.02,4]heptane is C1CC2C1C1N[C@@H]21.
What is the InChIKey of (4S)-3-azatricyclo[3.2.0.02,4]heptane?
The InChIKey is KQZLJBRAOHMABS-CTQIIAAMSA-N. The full InChI is InChI=1S/C6H9N/c1-2-4-3(1)5-6(4)7-5/h3-7H,1-2H2/t3?,4?,5-,6?/m0/s1.
What are the key properties of (4S)-3-azatricyclo[3.2.0.02,4]heptane?
(4S)-3-azatricyclo[3.2.0.02,4]heptane has a molecular weight of 95.15 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-azatricyclo[3.2.0.02,4]heptane is sourced from PubChem (CID 163720320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).