CID 58399109

C19H18N2O — CID 58399109

IUPAC—
SMILES[CH]n1c(CCC(C)=O)nc2c(C)cc(-c3ccccc3)cc21
InChIInChI=1S/C19H18N2O/c1-13-11-16(15-7-5-4-6-8-15)12-17-19(13)20-18(21(17)3)10-9-14(2)22/h3-8,11-12H,9-10H2,1-2H3
InChIKeyURGOJRQFQXSANZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.05
Rot. Bonds4

About CID 58399109

CID 58399109 (PubChem CID 58399109) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol.

Molecular Properties

Compound NameCID 58399109
PubChem CID58399109
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name—
SMILES[CH]n1c(CCC(C)=O)nc2c(C)cc(-c3ccccc3)cc21
InChIInChI=1S/C19H18N2O/c1-13-11-16(15-7-5-4-6-8-15)12-17-19(13)20-18(21(17)3)10-9-14(2)22/h3-8,11-12H,9-10H2,1-2H3
InChIKeyURGOJRQFQXSANZ-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58399109?
The IUPAC name of CID 58399109 (CID 58399109) is not available.
What is the SMILES notation for CID 58399109?
The canonical SMILES for CID 58399109 is [CH]n1c(CCC(C)=O)nc2c(C)cc(-c3ccccc3)cc21.
What is the InChIKey of CID 58399109?
The InChIKey is URGOJRQFQXSANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-11-16(15-7-5-4-6-8-15)12-17-19(13)20-18(21(17)3)10-9-14(2)22/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of CID 58399109?
CID 58399109 has a molecular weight of 290.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58399109 is sourced from PubChem (CID 58399109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).