CID 59807167

C11H11NY-2 — CID 59807167

IUPAC—
SMILES[H]/[C-]=C/C1=[C-]C2=C(C=CC2)CCN1.[Y]
InChIInChI=1S/C11H11N.Y/c1-2-11-8-10-5-3-4-9(10)6-7-12-11;/h1-4,12H,5-7H2;/q-2;
InChIKeyVNUKDBUOECBCGW-UHFFFAOYSA-N
MW246.12 g/mol
LogP1.91
Rot. Bonds1

About CID 59807167

CID 59807167 (PubChem CID 59807167) has the molecular formula C11H11NY-2 and a molecular weight of 246.12 g/mol.

Molecular Properties

Compound NameCID 59807167
PubChem CID59807167
Molecular FormulaC11H11NY-2
Molecular Weight246.12 g/mol
Exact Mass246.00
IUPAC Name—
SMILES[H]/[C-]=C/C1=[C-]C2=C(C=CC2)CCN1.[Y]
InChIInChI=1S/C11H11N.Y/c1-2-11-8-10-5-3-4-9(10)6-7-12-11;/h1-4,12H,5-7H2;/q-2;
InChIKeyVNUKDBUOECBCGW-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59807167?
The IUPAC name of CID 59807167 (CID 59807167) is not available.
What is the SMILES notation for CID 59807167?
The canonical SMILES for CID 59807167 is [H]/[C-]=C/C1=[C-]C2=C(C=CC2)CCN1.[Y].
What is the InChIKey of CID 59807167?
The InChIKey is VNUKDBUOECBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.Y/c1-2-11-8-10-5-3-4-9(10)6-7-12-11;/h1-4,12H,5-7H2;/q-2;.
What are the key properties of CID 59807167?
CID 59807167 has a molecular weight of 246.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59807167 is sourced from PubChem (CID 59807167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).