(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol

C10H17NO2 — CID 118199716

IUPAC(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESC/C=C\[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H17NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h2-3,7-9,11-13H,4-6H2,1H3/b3-2-/t7-,8-,9-/m1/s1
InChIKeyFFSYGJOLXBVJFU-VWAQZPJRSA-N
MW183.25 g/mol
LogP0.04
Rot. Bonds1

About (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199716) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199716
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESC/C=C\[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H17NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h2-3,7-9,11-13H,4-6H2,1H3/b3-2-/t7-,8-,9-/m1/s1
InChIKeyFFSYGJOLXBVJFU-VWAQZPJRSA-N
XLogP0.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol (CID 118199716) is (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol is C/C=C\[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is FFSYGJOLXBVJFU-VWAQZPJRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h2-3,7-9,11-13H,4-6H2,1H3/b3-2-/t7-,8-,9-/m1/s1.
What are the key properties of (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 183.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-[(Z)-prop-1-enyl]-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).