ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone

C22H30N2O2 — CID 142300590

IUPACethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone
SMILESC=C(C)c1cc2cc(C(C)=O)c(C)c(C(=C)N3CCOCC3)n2c1.CC
InChIInChI=1S/C20H24N2O2.C2H6/c1-13(2)17-10-18-11-19(16(5)23)14(3)20(22(18)12-17)15(4)21-6-8-24-9-7-21;1-2/h10-12H,1,4,6-9H2,2-3,5H3;1-2H3
InChIKeyDPYFICAPFRQTLN-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.81
Rot. Bonds4

About ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone

ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone (PubChem CID 142300590) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone
PubChem CID142300590
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nameethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone
SMILESC=C(C)c1cc2cc(C(C)=O)c(C)c(C(=C)N3CCOCC3)n2c1.CC
InChIInChI=1S/C20H24N2O2.C2H6/c1-13(2)17-10-18-11-19(16(5)23)14(3)20(22(18)12-17)15(4)21-6-8-24-9-7-21;1-2/h10-12H,1,4,6-9H2,2-3,5H3;1-2H3
InChIKeyDPYFICAPFRQTLN-UHFFFAOYSA-N
XLogP4.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone with MolForge

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Related Compounds

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
CID 138733538
propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
CID 175336975
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
CID 159982717
CID 159982717
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone?
The IUPAC name of ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone (CID 142300590) is ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone.
What is the SMILES notation for ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone?
The canonical SMILES for ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone is C=C(C)c1cc2cc(C(C)=O)c(C)c(C(=C)N3CCOCC3)n2c1.CC.
What is the InChIKey of ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone?
The InChIKey is DPYFICAPFRQTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C2H6/c1-13(2)17-10-18-11-19(16(5)23)14(3)20(22(18)12-17)15(4)21-6-8-24-9-7-21;1-2/h10-12H,1,4,6-9H2,2-3,5H3;1-2H3.
What are the key properties of ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone?
ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone has a molecular weight of 354.49 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone is sourced from PubChem (CID 142300590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).