(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol

C10H19NO — CID 11206011

IUPAC(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol
SMILESCC(C)[C@@]1(O)CC/C=C\CNC1
InChIInChI=1S/C10H19NO/c1-9(2)10(12)6-4-3-5-7-11-8-10/h3,5,9,11-12H,4,6-8H2,1-2H3/b5-3-/t10-/m1/s1
InChIKeyRBLFUFVSQRJSEK-TZGMSPROSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds1

About (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol

(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol (PubChem CID 11206011) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol.

Molecular Properties

Compound Name(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol
PubChem CID11206011
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol
SMILESCC(C)[C@@]1(O)CC/C=C\CNC1
InChIInChI=1S/C10H19NO/c1-9(2)10(12)6-4-3-5-7-11-8-10/h3,5,9,11-12H,4,6-8H2,1-2H3/b5-3-/t10-/m1/s1
InChIKeyRBLFUFVSQRJSEK-TZGMSPROSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol?
The IUPAC name of (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol (CID 11206011) is (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol.
What is the SMILES notation for (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol?
The canonical SMILES for (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol is CC(C)[C@@]1(O)CC/C=C\CNC1.
What is the InChIKey of (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol?
The InChIKey is RBLFUFVSQRJSEK-TZGMSPROSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)10(12)6-4-3-5-7-11-8-10/h3,5,9,11-12H,4,6-8H2,1-2H3/b5-3-/t10-/m1/s1.
What are the key properties of (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol?
(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol is sourced from PubChem (CID 11206011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).