6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide

C15H23N3O3 — CID 90065514

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NC[C@H]1CCNC1
InChIInChI=1S/C15H23N3O3/c19-13(17-11-12-7-8-16-10-12)4-2-1-3-9-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19)/t12-/m0/s1
InChIKeyVQOOTHGAADMYNY-LBPRGKRZSA-N
MW293.37 g/mol
LogP0.20
Rot. Bonds8

About 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide (PubChem CID 90065514) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide
PubChem CID90065514
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NC[C@H]1CCNC1
InChIInChI=1S/C15H23N3O3/c19-13(17-11-12-7-8-16-10-12)4-2-1-3-9-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19)/t12-/m0/s1
InChIKeyVQOOTHGAADMYNY-LBPRGKRZSA-N
XLogP0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide
CID 176889456
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperazin-1-ylhexyl)hexanamide
CID 176889453
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
tert-butyl 3-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoylamino]methyl]pyrrolidine-1-carboxylate
CID 123856873
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119463677
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide (CID 90065514) is 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide is O=C(CCCCCN1C(=O)C=CC1=O)NC[C@H]1CCNC1.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide?
The InChIKey is VQOOTHGAADMYNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13(17-11-12-7-8-16-10-12)4-2-1-3-9-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19)/t12-/m0/s1.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide has a molecular weight of 293.37 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide is sourced from PubChem (CID 90065514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).