CID 70338598

C12H15N2O2Si — CID 70338598

IUPAC—
SMILES[Si]c1cccnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15N2O2Si/c17-10-2-1-5-13-11(10)14-6-3-12(4-7-14)15-8-9-16-12/h1-2,5H,3-4,6-9H2
InChIKeySMJKBLXVAFZPMC-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.22
Rot. Bonds1

About CID 70338598

CID 70338598 (PubChem CID 70338598) has the molecular formula C12H15N2O2Si and a molecular weight of 247.35 g/mol.

Molecular Properties

Compound NameCID 70338598
PubChem CID70338598
Molecular FormulaC12H15N2O2Si
Molecular Weight247.35 g/mol
Exact Mass247.09
IUPAC Name—
SMILES[Si]c1cccnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15N2O2Si/c17-10-2-1-5-13-11(10)14-6-3-12(4-7-14)15-8-9-16-12/h1-2,5H,3-4,6-9H2
InChIKeySMJKBLXVAFZPMC-UHFFFAOYSA-N
XLogP0.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 112550214
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CID 108985968
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
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8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of CID 70338598?
The IUPAC name of CID 70338598 (CID 70338598) is not available.
What is the SMILES notation for CID 70338598?
The canonical SMILES for CID 70338598 is [Si]c1cccnc1N1CCC2(CC1)OCCO2.
What is the InChIKey of CID 70338598?
The InChIKey is SMJKBLXVAFZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O2Si/c17-10-2-1-5-13-11(10)14-6-3-12(4-7-14)15-8-9-16-12/h1-2,5H,3-4,6-9H2.
What are the key properties of CID 70338598?
CID 70338598 has a molecular weight of 247.35 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70338598 is sourced from PubChem (CID 70338598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).