3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol

C14H22N2O — CID 67009663

IUPAC3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol
SMILESOC1(c2cnc[nH]2)CCC2(CCCCC2)CC1
InChIInChI=1S/C14H22N2O/c17-14(12-10-15-11-16-12)8-6-13(7-9-14)4-2-1-3-5-13/h10-11,17H,1-9H2,(H,15,16)
InChIKeyKGSSXQRGUMJYCA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds1

About 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol

3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol (PubChem CID 67009663) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol
PubChem CID67009663
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol
SMILESOC1(c2cnc[nH]2)CCC2(CCCCC2)CC1
InChIInChI=1S/C14H22N2O/c17-14(12-10-15-11-16-12)8-6-13(7-9-14)4-2-1-3-5-13/h10-11,17H,1-9H2,(H,15,16)
InChIKeyKGSSXQRGUMJYCA-UHFFFAOYSA-N
XLogP3.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol?
The IUPAC name of 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol (CID 67009663) is 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol.
What is the SMILES notation for 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol?
The canonical SMILES for 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol is OC1(c2cnc[nH]2)CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol?
The InChIKey is KGSSXQRGUMJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14(12-10-15-11-16-12)8-6-13(7-9-14)4-2-1-3-5-13/h10-11,17H,1-9H2,(H,15,16).
What are the key properties of 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol?
3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)spiro[5.5]undecan-3-ol is sourced from PubChem (CID 67009663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).