CID 159564409

C14H16KO2 — CID 159564409

IUPAC—
SMILESC=C(C)C(=O)O.C=Cc1ccccc1C=C.[K]
InChIInChI=1S/C10H10.C4H6O2.K/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6;/h3-8H,1-2H2;1H2,2H3,(H,5,6);
InChIKeyMHADQURNQVAJBY-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.24
Rot. Bonds3

About CID 159564409

CID 159564409 (PubChem CID 159564409) has the molecular formula C14H16KO2 and a molecular weight of 255.38 g/mol.

Molecular Properties

Compound NameCID 159564409
PubChem CID159564409
Molecular FormulaC14H16KO2
Molecular Weight255.38 g/mol
Exact Mass255.08
IUPAC Name—
SMILESC=C(C)C(=O)O.C=Cc1ccccc1C=C.[K]
InChIInChI=1S/C10H10.C4H6O2.K/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6;/h3-8H,1-2H2;1H2,2H3,(H,5,6);
InChIKeyMHADQURNQVAJBY-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159564409?
The IUPAC name of CID 159564409 (CID 159564409) is not available.
What is the SMILES notation for CID 159564409?
The canonical SMILES for CID 159564409 is C=C(C)C(=O)O.C=Cc1ccccc1C=C.[K].
What is the InChIKey of CID 159564409?
The InChIKey is MHADQURNQVAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C4H6O2.K/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6;/h3-8H,1-2H2;1H2,2H3,(H,5,6);.
What are the key properties of CID 159564409?
CID 159564409 has a molecular weight of 255.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159564409 is sourced from PubChem (CID 159564409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).