1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone

C18H18N2O — CID 127026581

IUPAC1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(N(C)C)cc2)c2ccccn12
InChIInChI=1S/C18H18N2O/c1-13(21)18-12-16(17-6-4-5-11-20(17)18)14-7-9-15(10-8-14)19(2)3/h4-12H,1-3H3
InChIKeyICFNXQGQCBQFBL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.87
Rot. Bonds3

About 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone

1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone (PubChem CID 127026581) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone
PubChem CID127026581
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(N(C)C)cc2)c2ccccn12
InChIInChI=1S/C18H18N2O/c1-13(21)18-12-16(17-6-4-5-11-20(17)18)14-7-9-15(10-8-14)19(2)3/h4-12H,1-3H3
InChIKeyICFNXQGQCBQFBL-UHFFFAOYSA-N
XLogP3.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone (CID 127026581) is 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone is CC(=O)c1cc(-c2ccc(N(C)C)cc2)c2ccccn12.
What is the InChIKey of 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone?
The InChIKey is ICFNXQGQCBQFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(21)18-12-16(17-6-4-5-11-20(17)18)14-7-9-15(10-8-14)19(2)3/h4-12H,1-3H3.
What are the key properties of 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone?
1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)phenyl]indolizin-3-yl]ethanone is sourced from PubChem (CID 127026581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).