2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol

C12H21NO — CID 177329990

IUPAC2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol
SMILESC=CCCC1(O)CC2(CCCNC2)C1
InChIInChI=1S/C12H21NO/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11/h2,13-14H,1,3-10H2
InChIKeyLYWHTMWHXLVOCM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds3

About 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol

2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol (PubChem CID 177329990) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol
PubChem CID177329990
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol
SMILESC=CCCC1(O)CC2(CCCNC2)C1
InChIInChI=1S/C12H21NO/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11/h2,13-14H,1,3-10H2
InChIKeyLYWHTMWHXLVOCM-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-But-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane
CID 177329989
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
2-Piperidin-2-ylhex-5-en-2-ol
CID 104656204

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol?
The IUPAC name of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol (CID 177329990) is 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol?
The canonical SMILES for 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol is C=CCCC1(O)CC2(CCCNC2)C1.
What is the InChIKey of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol?
The InChIKey is LYWHTMWHXLVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11/h2,13-14H,1,3-10H2.
What are the key properties of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol?
2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 177329990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).