(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C11H19NO — CID 131110765

IUPAC(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC=C(C)CN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C11H19NO/c1-9(2)7-12-5-3-11-10(8-12)4-6-13-11/h10-11H,1,3-8H2,2H3/t10-,11+/m0/s1
InChIKeyOZOVPUVTQVATBS-WDEREUQCSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds2

About (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 131110765) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID131110765
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC=C(C)CN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C11H19NO/c1-9(2)7-12-5-3-11-10(8-12)4-6-13-11/h10-11H,1,3-8H2,2H3/t10-,11+/m0/s1
InChIKeyOZOVPUVTQVATBS-WDEREUQCSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 131110765) is (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is C=C(C)CN1CC[C@H]2OCC[C@H]2C1.
What is the InChIKey of (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is OZOVPUVTQVATBS-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)7-12-5-3-11-10(8-12)4-6-13-11/h10-11H,1,3-8H2,2H3/t10-,11+/m0/s1.
What are the key properties of (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 181.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 131110765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).