(2S)-6-azatricyclo[3.2.0.02,4]heptane

C6H9N — CID 163535708

IUPAC(2S)-6-azatricyclo[3.2.0.02,4]heptane
SMILESC1NC2C1[C@H]1CC21
InChIInChI=1S/C6H9N/c1-3-4(1)6-5(3)2-7-6/h3-7H,1-2H2/t3-,4?,5?,6?/m0/s1
InChIKeyDWTVFTSIHWGGBZ-ALMVMMGASA-N
MW95.15 g/mol
LogP0.22
Rot. Bonds

About (2S)-6-azatricyclo[3.2.0.02,4]heptane

(2S)-6-azatricyclo[3.2.0.02,4]heptane (PubChem CID 163535708) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is (2S)-6-azatricyclo[3.2.0.02,4]heptane.

Molecular Properties

Compound Name(2S)-6-azatricyclo[3.2.0.02,4]heptane
PubChem CID163535708
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC Name(2S)-6-azatricyclo[3.2.0.02,4]heptane
SMILESC1NC2C1[C@H]1CC21
InChIInChI=1S/C6H9N/c1-3-4(1)6-5(3)2-7-6/h3-7H,1-2H2/t3-,4?,5?,6?/m0/s1
InChIKeyDWTVFTSIHWGGBZ-ALMVMMGASA-N
XLogP0.22
TPSA12.03 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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-azatricyclo[3.2.0.02,4]heptane?
The IUPAC name of (2S)-6-azatricyclo[3.2.0.02,4]heptane (CID 163535708) is (2S)-6-azatricyclo[3.2.0.02,4]heptane.
What is the SMILES notation for (2S)-6-azatricyclo[3.2.0.02,4]heptane?
The canonical SMILES for (2S)-6-azatricyclo[3.2.0.02,4]heptane is C1NC2C1[C@H]1CC21.
What is the InChIKey of (2S)-6-azatricyclo[3.2.0.02,4]heptane?
The InChIKey is DWTVFTSIHWGGBZ-ALMVMMGASA-N. The full InChI is InChI=1S/C6H9N/c1-3-4(1)6-5(3)2-7-6/h3-7H,1-2H2/t3-,4?,5?,6?/m0/s1.
What are the key properties of (2S)-6-azatricyclo[3.2.0.02,4]heptane?
(2S)-6-azatricyclo[3.2.0.02,4]heptane has a molecular weight of 95.15 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-azatricyclo[3.2.0.02,4]heptane is sourced from PubChem (CID 163535708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).