3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione

C19H25N3O4 — CID 145384661

IUPAC3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(CCCCCN)C1=C(/C=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H25N3O4/c1-3-7-13-16(12(2)8-5-4-6-11-20)19(26)22(18(13)25)14-9-10-15(23)21-17(14)24/h3,7,14H,2,4-6,8-11,20H2,1H3,(H,21,23,24)/b7-3-
InChIKeyCMEWTOWTDAEZNZ-CLTKARDFSA-N
MW359.43 g/mol
LogP1.11
Rot. Bonds8

About 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione

3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione (PubChem CID 145384661) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione
PubChem CID145384661
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(CCCCCN)C1=C(/C=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H25N3O4/c1-3-7-13-16(12(2)8-5-4-6-11-20)19(26)22(18(13)25)14-9-10-15(23)21-17(14)24/h3,7,14H,2,4-6,8-11,20H2,1H3,(H,21,23,24)/b7-3-
InChIKeyCMEWTOWTDAEZNZ-CLTKARDFSA-N
XLogP1.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide
CID 10935747
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-4,5-dihydroisoindole-1,3-dione
CID 163573302
2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide
CID 170311892
(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
CID 170312456
3-[(3E,4E)-4-(1-fluoroethylidene)-3-(2-fluoroethylidene)-2-oxoazocan-1-yl]piperidine-2,6-dione
CID 171847130
3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 174263140
3-(9,10-Difluoro-1-oxo-3,4,5,6,8,9-hexahydro-2-benzazocin-2-yl)piperidine-2,6-dione
CID 175631266
Ethane;3-ethenyl-4-ethyl-1-[2-oxo-6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione;prop-1-ene
CID 177998258

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione (CID 145384661) is 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione is C=C(CCCCCN)C1=C(/C=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is CMEWTOWTDAEZNZ-CLTKARDFSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-7-13-16(12(2)8-5-4-6-11-20)19(26)22(18(13)25)14-9-10-15(23)21-17(14)24/h3,7,14H,2,4-6,8-11,20H2,1H3,(H,21,23,24)/b7-3-.
What are the key properties of 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione?
3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 359.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 145384661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).