(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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Related Compounds

3-thia-6-azatricyclo[3.2.0.02,4]heptane
CID 131863057
(10S,15S,18R,25S,27R)-16-azapentadecacyclo[28.10.1.02,28.03,8.04,40.07,11.09,27.010,15.014,19.018,23.022,33.024,32.025,29.031,36.037,41]hentetracontane
CID 135036897
(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane
CID 163910451
(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 163817259
2-cyclobutyl-3-cyclopropylazetidine
CID 131197284
7-azatricyclo[4.3.0.03,9]nonane
CID 45092436
4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 142165560
(2R)-3-methoxy-2-(2-methylcyclopropyl)azetidine
CID 163873844
2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 175778826
2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
CID 130642314
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883

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).