3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide

C19H16N2O2 — CID 46838293

IUPAC3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)C2CC2)n2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18(13-9-10-13)17-12-15(16-8-4-5-11-21(16)17)19(23)20-14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H,20,23)
InChIKeyZCDNJRAHKUVKPE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide

3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide (PubChem CID 46838293) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide
PubChem CID46838293
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)C2CC2)n2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18(13-9-10-13)17-12-15(16-8-4-5-11-21(16)17)19(23)20-14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H,20,23)
InChIKeyZCDNJRAHKUVKPE-UHFFFAOYSA-N
XLogP3.78
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide (CID 46838293) is 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide is O=C(Nc1ccccc1)c1cc(C(=O)C2CC2)n2ccccc12.
What is the InChIKey of 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide?
The InChIKey is ZCDNJRAHKUVKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18(13-9-10-13)17-12-15(16-8-4-5-11-21(16)17)19(23)20-14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H,20,23).
What are the key properties of 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide?
3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-N-phenylindolizine-1-carboxamide is sourced from PubChem (CID 46838293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).