3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide

C18H16N2O3 — CID 127026590

IUPAC3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12
InChIInChI=1S/C18H16N2O3/c1-11(22)16-9-15(14-5-3-2-4-13(14)10-21)17-8-12(18(19)23)6-7-20(16)17/h2-9,21H,10H2,1H3,(H2,19,23)
InChIKeyCMVRHYGPXFLFCH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.40
Rot. Bonds4

About 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide

3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide (PubChem CID 127026590) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide
PubChem CID127026590
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12
InChIInChI=1S/C18H16N2O3/c1-11(22)16-9-15(14-5-3-2-4-13(14)10-21)17-8-12(18(19)23)6-7-20(16)17/h2-9,21H,10H2,1H3,(H2,19,23)
InChIKeyCMVRHYGPXFLFCH-UHFFFAOYSA-N
XLogP2.40
TPSA84.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide?
The IUPAC name of 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide (CID 127026590) is 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide.
What is the SMILES notation for 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide?
The canonical SMILES for 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide is CC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12.
What is the InChIKey of 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide?
The InChIKey is CMVRHYGPXFLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(22)16-9-15(14-5-3-2-4-13(14)10-21)17-8-12(18(19)23)6-7-20(16)17/h2-9,21H,10H2,1H3,(H2,19,23).
What are the key properties of 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide?
3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-(hydroxymethyl)phenyl]indolizine-7-carboxamide is sourced from PubChem (CID 127026590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).