(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane

C8H13N — CID 130224123

IUPAC(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane
SMILESCN1CC2CC[C@H]3C2C31
InChIInChI=1S/C8H13N/c1-9-4-5-2-3-6-7(5)8(6)9/h5-8H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1
InChIKeyRDPVUZMOVZHRHV-GGRBJAFOSA-N
MW123.20 g/mol
LogP0.96
Rot. Bonds

About (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane

(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane (PubChem CID 130224123) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane.

Molecular Properties

Compound Name(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane
PubChem CID130224123
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane
SMILESCN1CC2CC[C@H]3C2C31
InChIInChI=1S/C8H13N/c1-9-4-5-2-3-6-7(5)8(6)9/h5-8H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1
InChIKeyRDPVUZMOVZHRHV-GGRBJAFOSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane?
The IUPAC name of (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane (CID 130224123) is (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane.
What is the SMILES notation for (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane?
The canonical SMILES for (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane is CN1CC2CC[C@H]3C2C31.
What is the InChIKey of (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane?
The InChIKey is RDPVUZMOVZHRHV-GGRBJAFOSA-N. The full InChI is InChI=1S/C8H13N/c1-9-4-5-2-3-6-7(5)8(6)9/h5-8H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1.
What are the key properties of (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane?
(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane has a molecular weight of 123.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane is sourced from PubChem (CID 130224123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).