1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one

C24H26N2O2 — CID 174165627

IUPAC1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one
SMILESC=C(CCNCCC)CC(=O)c1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C24H26N2O2/c1-3-12-25-13-11-18(2)15-23(27)20-16-21-10-7-14-26(21)22(17-20)24(28)19-8-5-4-6-9-19/h4-10,14,16-17,25H,2-3,11-13,15H2,1H3
InChIKeyAZOIYGRQZZRACC-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.69
Rot. Bonds10

About 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one

1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one (PubChem CID 174165627) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one.

Molecular Properties

Compound Name1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one
PubChem CID174165627
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one
SMILESC=C(CCNCCC)CC(=O)c1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C24H26N2O2/c1-3-12-25-13-11-18(2)15-23(27)20-16-21-10-7-14-26(21)22(17-20)24(28)19-8-5-4-6-9-19/h4-10,14,16-17,25H,2-3,11-13,15H2,1H3
InChIKeyAZOIYGRQZZRACC-UHFFFAOYSA-N
XLogP4.69
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzoylindolizine-7-carboxylic acid
CID 171758340
[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
CID 174165654
N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide
CID 174165657
ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
CID 165114047
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
(2-butylindolizin-3-yl)-[4-[3-(propylamino)propyl]phenyl]methanone;hydrochloride
CID 16734825
2-[5-(4-fluorobenzoyl)indolizin-7-yl]acetic acid
CID 174164867
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
3-benzoylindolizine-1-carboxylic acid
CID 71356515

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one?
The IUPAC name of 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one (CID 174165627) is 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one.
What is the SMILES notation for 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one?
The canonical SMILES for 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one is C=C(CCNCCC)CC(=O)c1cc(C(=O)c2ccccc2)n2cccc2c1.
What is the InChIKey of 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one?
The InChIKey is AZOIYGRQZZRACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-12-25-13-11-18(2)15-23(27)20-16-21-10-7-14-26(21)22(17-20)24(28)19-8-5-4-6-9-19/h4-10,14,16-17,25H,2-3,11-13,15H2,1H3.
What are the key properties of 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one?
1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one is sourced from PubChem (CID 174165627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).