(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine

C8H13NO — CID 55289949

IUPAC(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine
SMILESCO[C@]12C=C[C@H](C[C@@H]1N)C2
InChIInChI=1S/C8H13NO/c1-10-8-3-2-6(5-8)4-7(8)9/h2-3,6-7H,4-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyOZYJXQBBOGKHOZ-CSMHCCOUSA-N
MW139.20 g/mol
LogP0.68
Rot. Bonds1

About (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine

(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 55289949) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine
PubChem CID55289949
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine
SMILESCO[C@]12C=C[C@H](C[C@@H]1N)C2
InChIInChI=1S/C8H13NO/c1-10-8-3-2-6(5-8)4-7(8)9/h2-3,6-7H,4-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyOZYJXQBBOGKHOZ-CSMHCCOUSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine (CID 55289949) is (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine is CO[C@]12C=C[C@H](C[C@@H]1N)C2.
What is the InChIKey of (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is OZYJXQBBOGKHOZ-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-3-2-6(5-8)4-7(8)9/h2-3,6-7H,4-5,9H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine?
(1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1-methoxybicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 55289949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).