CID 151831410

C9H11BNO — CID 151831410

IUPAC—
SMILESCN(C)[B]c1cccc(C=O)c1
InChIInChI=1S/C9H11BNO/c1-11(2)10-9-5-3-4-8(6-9)7-12/h3-7H,1-2H3
InChIKeySESUWSXIWFGZKU-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.31
Rot. Bonds3

About CID 151831410

CID 151831410 (PubChem CID 151831410) has the molecular formula C9H11BNO and a molecular weight of 160.00 g/mol.

Molecular Properties

Compound NameCID 151831410
PubChem CID151831410
Molecular FormulaC9H11BNO
Molecular Weight160.00 g/mol
Exact Mass160.09
IUPAC Name—
SMILESCN(C)[B]c1cccc(C=O)c1
InChIInChI=1S/C9H11BNO/c1-11(2)10-9-5-3-4-8(6-9)7-12/h3-7H,1-2H3
InChIKeySESUWSXIWFGZKU-UHFFFAOYSA-N
XLogP0.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125

Frequently Asked Questions

What is the IUPAC name of CID 151831410?
The IUPAC name of CID 151831410 (CID 151831410) is not available.
What is the SMILES notation for CID 151831410?
The canonical SMILES for CID 151831410 is CN(C)[B]c1cccc(C=O)c1.
What is the InChIKey of CID 151831410?
The InChIKey is SESUWSXIWFGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BNO/c1-11(2)10-9-5-3-4-8(6-9)7-12/h3-7H,1-2H3.
What are the key properties of CID 151831410?
CID 151831410 has a molecular weight of 160.00 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151831410 is sourced from PubChem (CID 151831410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).