CID 163911964

C14H23N3O3Si- — CID 163911964

IUPAC—
SMILESCC(C)(C)[Si-](C)(C)OC1CN(c2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C14H23N3O3Si/c1-14(2,3)21(4,5)20-12-9-16(10-12)11-6-7-13(15-8-11)17(18)19/h6-8,12H,9-10H2,1-5H3/q-1
InChIKeyHXKXHZNRHDNKIG-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.20
Rot. Bonds4

About CID 163911964

CID 163911964 (PubChem CID 163911964) has the molecular formula C14H23N3O3Si- and a molecular weight of 309.44 g/mol.

Molecular Properties

Compound NameCID 163911964
PubChem CID163911964
Molecular FormulaC14H23N3O3Si-
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name—
SMILESCC(C)(C)[Si-](C)(C)OC1CN(c2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C14H23N3O3Si/c1-14(2,3)21(4,5)20-12-9-16(10-12)11-6-7-13(15-8-11)17(18)19/h6-8,12H,9-10H2,1-5H3/q-1
InChIKeyHXKXHZNRHDNKIG-UHFFFAOYSA-N
XLogP3.20
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 CID 163911964?
The IUPAC name of CID 163911964 (CID 163911964) is not available.
What is the SMILES notation for CID 163911964?
The canonical SMILES for CID 163911964 is CC(C)(C)[Si-](C)(C)OC1CN(c2ccc([N+](=O)[O-])nc2)C1.
What is the InChIKey of CID 163911964?
The InChIKey is HXKXHZNRHDNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3Si/c1-14(2,3)21(4,5)20-12-9-16(10-12)11-6-7-13(15-8-11)17(18)19/h6-8,12H,9-10H2,1-5H3/q-1.
What are the key properties of CID 163911964?
CID 163911964 has a molecular weight of 309.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163911964 is sourced from PubChem (CID 163911964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).