CID 19357387

C9H11BNO — CID 19357387

IUPAC—
SMILESNC1(O)CCc2ccccc21.[B]
InChIInChI=1S/C9H11NO.B/c10-9(11)6-5-7-3-1-2-4-8(7)9;/h1-4,11H,5-6,10H2;
InChIKeyAVIIBNVTDVWIFO-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.36
Rot. Bonds

About CID 19357387

CID 19357387 (PubChem CID 19357387) has the molecular formula C9H11BNO and a molecular weight of 160.00 g/mol.

Molecular Properties

Compound NameCID 19357387
PubChem CID19357387
Molecular FormulaC9H11BNO
Molecular Weight160.00 g/mol
Exact Mass160.09
IUPAC Name—
SMILESNC1(O)CCc2ccccc21.[B]
InChIInChI=1S/C9H11NO.B/c10-9(11)6-5-7-3-1-2-4-8(7)9;/h1-4,11H,5-6,10H2;
InChIKeyAVIIBNVTDVWIFO-UHFFFAOYSA-N
XLogP0.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19357387?
The IUPAC name of CID 19357387 (CID 19357387) is not available.
What is the SMILES notation for CID 19357387?
The canonical SMILES for CID 19357387 is NC1(O)CCc2ccccc21.[B].
What is the InChIKey of CID 19357387?
The InChIKey is AVIIBNVTDVWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.B/c10-9(11)6-5-7-3-1-2-4-8(7)9;/h1-4,11H,5-6,10H2;.
What are the key properties of CID 19357387?
CID 19357387 has a molecular weight of 160.00 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19357387 is sourced from PubChem (CID 19357387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).