9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate

C19H29NO4 — CID 174412984

IUPAC9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C19H29NO4/c1-14(2)19(23)24-13-11-9-7-5-6-8-10-12-20-17(21)15(3)16(4)18(20)22/h1,5-13H2,2-4H3
InChIKeyWYCHIILZZNAJFC-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.54
Rot. Bonds11

About 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate

9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate (PubChem CID 174412984) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate
PubChem CID174412984
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C19H29NO4/c1-14(2)19(23)24-13-11-9-7-5-6-8-10-12-20-17(21)15(3)16(4)18(20)22/h1,5-13H2,2-4H3
InChIKeyWYCHIILZZNAJFC-UHFFFAOYSA-N
XLogP3.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate?
The IUPAC name of 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate (CID 174412984) is 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate.
What is the SMILES notation for 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate?
The canonical SMILES for 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate?
The InChIKey is WYCHIILZZNAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-14(2)19(23)24-13-11-9-7-5-6-8-10-12-20-17(21)15(3)16(4)18(20)22/h1,5-13H2,2-4H3.
What are the key properties of 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate?
9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate has a molecular weight of 335.44 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)nonyl 2-methylprop-2-enoate is sourced from PubChem (CID 174412984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).