1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione

C22H38N2O2 — CID 89021047

IUPAC1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione
SMILESC=C(CCCCCN1C(=O)C=CC1=O)N[C@@H](CCCC)CCCCCC
InChIInChI=1S/C22H38N2O2/c1-4-6-8-11-15-20(14-7-5-2)23-19(3)13-10-9-12-18-24-21(25)16-17-22(24)26/h16-17,20,23H,3-15,18H2,1-2H3/t20-/m0/s1
InChIKeyLGOGMBAMCVDIML-FQEVSTJZSA-N
MW362.56 g/mol
LogP5.10
Rot. Bonds16

About 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione

1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione (PubChem CID 89021047) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione
PubChem CID89021047
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione
SMILESC=C(CCCCCN1C(=O)C=CC1=O)N[C@@H](CCCC)CCCCCC
InChIInChI=1S/C22H38N2O2/c1-4-6-8-11-15-20(14-7-5-2)23-19(3)13-10-9-12-18-24-21(25)16-17-22(24)26/h16-17,20,23H,3-15,18H2,1-2H3/t20-/m0/s1
InChIKeyLGOGMBAMCVDIML-FQEVSTJZSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
CID 122493730
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
2-amino-N-[4-(hexylamino)-4-oxobutyl]-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
CID 142928624
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
pentyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69338003
1-butylpyrrole-2,5-dione;silane
CID 160820729

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione (CID 89021047) is 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione is C=C(CCCCCN1C(=O)C=CC1=O)N[C@@H](CCCC)CCCCCC.
What is the InChIKey of 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione?
The InChIKey is LGOGMBAMCVDIML-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-4-6-8-11-15-20(14-7-5-2)23-19(3)13-10-9-12-18-24-21(25)16-17-22(24)26/h16-17,20,23H,3-15,18H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione?
1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione has a molecular weight of 362.56 g/mol, XLogP of 5.10, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 89021047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).