(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate

C15H24N4O4 — CID 174690202

IUPAC(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate
SMILESCCCCCCCCC(N=C(N)N)C(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-4-5-6-7-8-11(18-15(16)17)14(22)23-19-12(20)9-10-13(19)21/h9-11H,2-8H2,1H3,(H4,16,17,18)
InChIKeyVCDCRJOSULQHTB-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.76
Rot. Bonds10

About (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate

(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate (PubChem CID 174690202) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate
PubChem CID174690202
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate
SMILESCCCCCCCCC(N=C(N)N)C(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-4-5-6-7-8-11(18-15(16)17)14(22)23-19-12(20)9-10-13(19)21/h9-11H,2-8H2,1H3,(H4,16,17,18)
InChIKeyVCDCRJOSULQHTB-UHFFFAOYSA-N
XLogP0.76
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrol-1-yl) 7-methyloctanoate
CID 138576057
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
1-(1-hydroxyhexyl)pyrrole-2,5-dione
CID 121483359
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
ethyl 2-[2-(diaminomethylideneamino)hexanoyloxy]benzoate
CID 139645046
ethyl 2-[(1-amino-2-indol-1-ylethylidene)amino]heptanoate
CID 163842473
2-(diaminomethylideneamino)-7-(3-methylsulfanyl-2,5-dioxopyrrol-1-yl)heptanoic acid
CID 158539049
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
octyl 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 139844277
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate (CID 174690202) is (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate is CCCCCCCCC(N=C(N)N)C(=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate?
The InChIKey is VCDCRJOSULQHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-2-3-4-5-6-7-8-11(18-15(16)17)14(22)23-19-12(20)9-10-13(19)21/h9-11H,2-8H2,1H3,(H4,16,17,18).
What are the key properties of (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate?
(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate has a molecular weight of 324.38 g/mol, XLogP of 0.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate is sourced from PubChem (CID 174690202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).