9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol

C15H24N4O — CID 70059457

IUPAC9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol
SMILESOC1CCC2(CC1)CCC(C=NNc1ncc[nH]1)CC2
InChIInChI=1S/C15H24N4O/c20-13-3-7-15(8-4-13)5-1-12(2-6-15)11-18-19-14-16-9-10-17-14/h9-13,20H,1-8H2,(H2,16,17,19)
InChIKeyMKLZIKLKAHUGLO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.92
Rot. Bonds3

About 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol

9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol (PubChem CID 70059457) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol
PubChem CID70059457
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol
SMILESOC1CCC2(CC1)CCC(C=NNc1ncc[nH]1)CC2
InChIInChI=1S/C15H24N4O/c20-13-3-7-15(8-4-13)5-1-12(2-6-15)11-18-19-14-16-9-10-17-14/h9-13,20H,1-8H2,(H2,16,17,19)
InChIKeyMKLZIKLKAHUGLO-UHFFFAOYSA-N
XLogP2.92
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol?
The IUPAC name of 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol (CID 70059457) is 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol.
What is the SMILES notation for 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol?
The canonical SMILES for 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol is OC1CCC2(CC1)CCC(C=NNc1ncc[nH]1)CC2.
What is the InChIKey of 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol?
The InChIKey is MKLZIKLKAHUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-13-3-7-15(8-4-13)5-1-12(2-6-15)11-18-19-14-16-9-10-17-14/h9-13,20H,1-8H2,(H2,16,17,19).
What are the key properties of 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol?
9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1H-imidazol-2-ylhydrazinylidene)methyl]spiro[5.5]undecan-3-ol is sourced from PubChem (CID 70059457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).