1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione

C22H40N2O2 — CID 174854983

IUPAC1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCCC/C=C\CCCCCCCC(N)N1C(=O)CCC1=O
InChIInChI=1S/C22H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-21(25)18-19-22(24)26/h9-10,20H,2-8,11-19,23H2,1H3/b10-9-
InChIKeyNKMGBQCZQIOWAF-KTKRTIGZSA-N
MW364.57 g/mol
LogP5.46
Rot. Bonds16

About 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione

1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione (PubChem CID 174854983) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione
PubChem CID174854983
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCCC/C=C\CCCCCCCC(N)N1C(=O)CCC1=O
InChIInChI=1S/C22H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-21(25)18-19-22(24)26/h9-10,20H,2-8,11-19,23H2,1H3/b10-9-
InChIKeyNKMGBQCZQIOWAF-KTKRTIGZSA-N
XLogP5.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptatriaconta-6,28-dien-19-amine
CID 123539967
1-(7-methylnonadec-7-en-6-yl)pyrrolidine-2,5-dione
CID 68597730
1-(10-methyltricos-10-en-9-yl)pyrrolidine-2,5-dione
CID 68595940
1-non-1-enylpyrrolidine-2,5-dione
CID 175549961
1-[(E)-6-methyltricos-6-en-5-yl]pyrrolidine-2,5-dione
CID 68597885
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
(Z)-2-aminooctadec-9-enamide
CID 56663673
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione (CID 174854983) is 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione is CCCCCCCC/C=C\CCCCCCCC(N)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione?
The InChIKey is NKMGBQCZQIOWAF-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-21(25)18-19-22(24)26/h9-10,20H,2-8,11-19,23H2,1H3/b10-9-.
What are the key properties of 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione?
1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione has a molecular weight of 364.57 g/mol, XLogP of 5.46, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 174854983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).