3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide

C19H14N2O2 — CID 118724663

IUPAC3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide
SMILESC#CCNC(=O)c1cc(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C19H14N2O2/c1-2-11-20-19(23)15-13-17(21-12-7-6-10-16(15)21)18(22)14-8-4-3-5-9-14/h1,3-10,12-13H,11H2,(H,20,23)
InChIKeyXYIXAYZRODGJNH-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.53
Rot. Bonds4

About 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide

3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide (PubChem CID 118724663) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide
PubChem CID118724663
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide
SMILESC#CCNC(=O)c1cc(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C19H14N2O2/c1-2-11-20-19(23)15-13-17(21-12-7-6-10-16(15)21)18(22)14-8-4-3-5-9-14/h1,3-10,12-13H,11H2,(H,20,23)
InChIKeyXYIXAYZRODGJNH-UHFFFAOYSA-N
XLogP2.53
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzoylindolizine-1-carboxylic acid
CID 71356515
3-(4-bromobenzoyl)-5-methyl-N-prop-2-ynylindolizine-1-carboxamide
CID 118724668
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
CID 170530658
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
CID 170222441
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
7-acetyl-3-benzoylindolizine-1-carboxylic acid
CID 170530657
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide?
The IUPAC name of 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide (CID 118724663) is 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide.
What is the SMILES notation for 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide?
The canonical SMILES for 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide is C#CCNC(=O)c1cc(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide?
The InChIKey is XYIXAYZRODGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-2-11-20-19(23)15-13-17(21-12-7-6-10-16(15)21)18(22)14-8-4-3-5-9-14/h1,3-10,12-13H,11H2,(H,20,23).
What are the key properties of 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide?
3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide is sourced from PubChem (CID 118724663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).