CID 10883782

C23H31BN2OP — CID 10883782

IUPAC—
SMILESCCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C23H31N2OP.B/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22;/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3;/b24-18+;/t20-,23-;/m0./s1
InChIKeyJWSDOFGZWWFLFT-ROCVRVIUSA-N
MW393.30 g/mol
LogP4.00
Rot. Bonds9

About CID 10883782

CID 10883782 (PubChem CID 10883782) has the molecular formula C23H31BN2OP and a molecular weight of 393.30 g/mol.

Molecular Properties

Compound NameCID 10883782
PubChem CID10883782
Molecular FormulaC23H31BN2OP
Molecular Weight393.30 g/mol
Exact Mass393.23
IUPAC Name—
SMILESCCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C23H31N2OP.B/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22;/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3;/b24-18+;/t20-,23-;/m0./s1
InChIKeyJWSDOFGZWWFLFT-ROCVRVIUSA-N
XLogP4.00
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10883782?
The IUPAC name of CID 10883782 (CID 10883782) is not available.
What is the SMILES notation for CID 10883782?
The canonical SMILES for CID 10883782 is CCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 10883782?
The InChIKey is JWSDOFGZWWFLFT-ROCVRVIUSA-N. The full InChI is InChI=1S/C23H31N2OP.B/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22;/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3;/b24-18+;/t20-,23-;/m0./s1.
What are the key properties of CID 10883782?
CID 10883782 has a molecular weight of 393.30 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10883782 is sourced from PubChem (CID 10883782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).