(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol

C10H17NO — CID 105366385

IUPAC(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-8(12)6-9-2-4-11-5-3-10(9)7-11/h6,8,10,12H,2-5,7H2,1H3/b9-6-
InChIKeyVZCLGBARAGSFON-TWGQIWQCSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds1

About (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol

(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol (PubChem CID 105366385) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol
PubChem CID105366385
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-8(12)6-9-2-4-11-5-3-10(9)7-11/h6,8,10,12H,2-5,7H2,1H3/b9-6-
InChIKeyVZCLGBARAGSFON-TWGQIWQCSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)propan-2-ol
CID 103971088
4-(2-Methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365915
(1Z)-1-(1,3-dimethylpiperidin-4-ylidene)propan-2-ol
CID 133679002
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
CID 163950534

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol (CID 105366385) is (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol is CC(O)/C=C1/CCN2CCC1C2.
What is the InChIKey of (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol?
The InChIKey is VZCLGBARAGSFON-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)6-9-2-4-11-5-3-10(9)7-11/h6,8,10,12H,2-5,7H2,1H3/b9-6-.
What are the key properties of (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol?
(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol is sourced from PubChem (CID 105366385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).