CID 10543510

C20H24LiNO2 — CID 10543510

IUPAC—
SMILESCC1(C)[C@H]2C[C@@H]3N4C(=O)[CH-]C[C@@]4(c4ccccc4)O[C@]3(C)[C@@H]1C2.[Li+]
InChIInChI=1S/C20H24NO2.Li/c1-18(2)14-11-15(18)19(3)16(12-14)21-17(22)9-10-20(21,23-19)13-7-5-4-6-8-13;/h4-9,14-16H,10-12H2,1-3H3;/q-1;+1/t14-,15-,16+,19-,20+;/m1./s1
InChIKeyASGPHQGMIIEIMV-AAJVCSGHSA-N
MW317.36 g/mol
LogP0.50
Rot. Bonds1

About CID 10543510

CID 10543510 (PubChem CID 10543510) has the molecular formula C20H24LiNO2 and a molecular weight of 317.36 g/mol.

Molecular Properties

Compound NameCID 10543510
PubChem CID10543510
Molecular FormulaC20H24LiNO2
Molecular Weight317.36 g/mol
Exact Mass317.20
IUPAC Name—
SMILESCC1(C)[C@H]2C[C@@H]3N4C(=O)[CH-]C[C@@]4(c4ccccc4)O[C@]3(C)[C@@H]1C2.[Li+]
InChIInChI=1S/C20H24NO2.Li/c1-18(2)14-11-15(18)19(3)16(12-14)21-17(22)9-10-20(21,23-19)13-7-5-4-6-8-13;/h4-9,14-16H,10-12H2,1-3H3;/q-1;+1/t14-,15-,16+,19-,20+;/m1./s1
InChIKeyASGPHQGMIIEIMV-AAJVCSGHSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 10543510?
The IUPAC name of CID 10543510 (CID 10543510) is not available.
What is the SMILES notation for CID 10543510?
The canonical SMILES for CID 10543510 is CC1(C)[C@H]2C[C@@H]3N4C(=O)[CH-]C[C@@]4(c4ccccc4)O[C@]3(C)[C@@H]1C2.[Li+].
What is the InChIKey of CID 10543510?
The InChIKey is ASGPHQGMIIEIMV-AAJVCSGHSA-N. The full InChI is InChI=1S/C20H24NO2.Li/c1-18(2)14-11-15(18)19(3)16(12-14)21-17(22)9-10-20(21,23-19)13-7-5-4-6-8-13;/h4-9,14-16H,10-12H2,1-3H3;/q-1;+1/t14-,15-,16+,19-,20+;/m1./s1.
What are the key properties of CID 10543510?
CID 10543510 has a molecular weight of 317.36 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10543510 is sourced from PubChem (CID 10543510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).