(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol

C19H33NO — CID 6453188

IUPAC(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol
SMILESC=CCCCC1CCCC2(CCC[C@@H](O)C2CCC=C)N1
InChIInChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16?,17?,18-,19?/m1/s1
InChIKeyQVOJHZPSXNUASC-YKPIGIGISA-N
MW291.48 g/mol
LogP4.35
Rot. Bonds7

About (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol

(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol (PubChem CID 6453188) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol
PubChem CID6453188
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol
SMILESC=CCCCC1CCCC2(CCC[C@@H](O)C2CCC=C)N1
InChIInChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16?,17?,18-,19?/m1/s1
InChIKeyQVOJHZPSXNUASC-YKPIGIGISA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol?
The IUPAC name of (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol (CID 6453188) is (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol?
The canonical SMILES for (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol is C=CCCCC1CCCC2(CCC[C@@H](O)C2CCC=C)N1.
What is the InChIKey of (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol?
The InChIKey is QVOJHZPSXNUASC-YKPIGIGISA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16?,17?,18-,19?/m1/s1.
What are the key properties of (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol?
(10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol has a molecular weight of 291.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-11-but-3-enyl-2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 6453188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).