(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane

C8H13N — CID 163910451

IUPAC(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane
SMILESCC1CC2C3C[C@@H]2C3N1
InChIInChI=1S/C8H13N/c1-4-2-5-6-3-7(5)8(6)9-4/h4-9H,2-3H2,1H3/t4?,5?,6-,7?,8?/m0/s1
InChIKeyQRPOXCLGZUACJF-LTHVNZCTSA-N
MW123.20 g/mol
LogP1.00
Rot. Bonds

About (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane

(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane (PubChem CID 163910451) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane.

Molecular Properties

Compound Name(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane
PubChem CID163910451
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane
SMILESCC1CC2C3C[C@@H]2C3N1
InChIInChI=1S/C8H13N/c1-4-2-5-6-3-7(5)8(6)9-4/h4-9H,2-3H2,1H3/t4?,5?,6-,7?,8?/m0/s1
InChIKeyQRPOXCLGZUACJF-LTHVNZCTSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane?
The IUPAC name of (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane (CID 163910451) is (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane.
What is the SMILES notation for (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane?
The canonical SMILES for (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane is CC1CC2C3C[C@@H]2C3N1.
What is the InChIKey of (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane?
The InChIKey is QRPOXCLGZUACJF-LTHVNZCTSA-N. The full InChI is InChI=1S/C8H13N/c1-4-2-5-6-3-7(5)8(6)9-4/h4-9H,2-3H2,1H3/t4?,5?,6-,7?,8?/m0/s1.
What are the key properties of (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane?
(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane has a molecular weight of 123.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane is sourced from PubChem (CID 163910451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).