CID 101146712

C18H11N4 — CID 101146712

IUPAC—
SMILESCC1[CH]C(C#Cc2ccccc2)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C18H11N4/c1-14-9-16(8-7-15-5-3-2-4-6-15)18(12-21,13-22)17(14,10-19)11-20/h2-6,9,14,16H,1H3
InChIKeyDYDSXJQFXVMNLF-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.58
Rot. Bonds

About CID 101146712

CID 101146712 (PubChem CID 101146712) has the molecular formula C18H11N4 and a molecular weight of 283.31 g/mol.

Molecular Properties

Compound NameCID 101146712
PubChem CID101146712
Molecular FormulaC18H11N4
Molecular Weight283.31 g/mol
Exact Mass283.10
IUPAC Name—
SMILESCC1[CH]C(C#Cc2ccccc2)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C18H11N4/c1-14-9-16(8-7-15-5-3-2-4-6-15)18(12-21,13-22)17(14,10-19)11-20/h2-6,9,14,16H,1H3
InChIKeyDYDSXJQFXVMNLF-UHFFFAOYSA-N
XLogP2.58
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101146712?
The IUPAC name of CID 101146712 (CID 101146712) is not available.
What is the SMILES notation for CID 101146712?
The canonical SMILES for CID 101146712 is CC1[CH]C(C#Cc2ccccc2)C(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of CID 101146712?
The InChIKey is DYDSXJQFXVMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N4/c1-14-9-16(8-7-15-5-3-2-4-6-15)18(12-21,13-22)17(14,10-19)11-20/h2-6,9,14,16H,1H3.
What are the key properties of CID 101146712?
CID 101146712 has a molecular weight of 283.31 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101146712 is sourced from PubChem (CID 101146712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).