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

C14H27NO — CID 177329989

IUPAC2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane
SMILESC=CCCC1(O)CC2(CCCNC2)C1.CC
InChIInChI=1S/C12H21NO.C2H6/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11;1-2/h2,13-14H,1,3-10H2;1-2H3
InChIKeyBNTZYFPKPCIAJY-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds3

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

2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane (PubChem CID 177329989) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane.

Molecular Properties

Compound Name2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane
PubChem CID177329989
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane
SMILESC=CCCC1(O)CC2(CCCNC2)C1.CC
InChIInChI=1S/C12H21NO.C2H6/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11;1-2/h2,13-14H,1,3-10H2;1-2H3
InChIKeyBNTZYFPKPCIAJY-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
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

(3R)-3-methyl-6-prop-2-enylpiperidin-3-ol
CID 176175214
2-Piperidin-2-ylhex-5-en-2-ol
CID 104656204
2-(4-Ethylpiperidin-2-yl)hex-5-en-2-ol
CID 104656241
2-(4-Methylpiperidin-2-yl)hex-5-en-2-ol
CID 104656321
2-Methyl-1-piperidin-2-ylpent-4-en-2-ol
CID 116009513
3-But-3-enyl-6-methylpiperidin-3-ol
CID 130806333
2-But-3-enyl-6-azaspiro[3.5]nonan-2-ol
CID 177329990

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane?
The IUPAC name of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane (CID 177329989) is 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane.
What is the SMILES notation for 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane?
The canonical SMILES for 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane is C=CCCC1(O)CC2(CCCNC2)C1.CC.
What is the InChIKey of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane?
The InChIKey is BNTZYFPKPCIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-2-3-6-12(14)8-11(9-12)5-4-7-13-10-11;1-2/h2,13-14H,1,3-10H2;1-2H3.
What are the key properties of 2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane?
2-but-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane has a molecular weight of 225.38 g/mol, XLogP of 2.87, 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;ethane is sourced from PubChem (CID 177329989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).