(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine

C7H13NO — CID 97308025

IUPAC(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESN[C@H]1C[C@@H]2OCCC[C@H]21
InChIInChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6-,7-/m0/s1
InChIKeyVYQRMUFYXHFYSF-ACZMJKKPSA-N
MW127.19 g/mol
LogP0.51
Rot. Bonds

About (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine

(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 97308025) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID97308025
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESN[C@H]1C[C@@H]2OCCC[C@H]21
InChIInChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6-,7-/m0/s1
InChIKeyVYQRMUFYXHFYSF-ACZMJKKPSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
2-oxabicyclo[4.2.0]octan-7-ylmethanol
CID 84716262
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
(3aR,4S,6S,7aS)-6-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 129413351
oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
CID 122360122
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
CID 119031067
2-(oxiran-2-yl)oxolane
CID 18759351
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
2,6-dioxabicyclo[5.1.0]octane
CID 118210494
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 120662194

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine (CID 97308025) is (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine is N[C@H]1C[C@@H]2OCCC[C@H]21.
What is the InChIKey of (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is VYQRMUFYXHFYSF-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6-,7-/m0/s1.
What are the key properties of (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine?
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 127.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 97308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).