N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide

C17H27N3O4 — CID 59867050

IUPACN'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCC(=O)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O4/c1-14(21)18-19-15(22)10-8-6-4-2-3-5-7-9-13-20-16(23)11-12-17(20)24/h11-12H,2-10,13H2,1H3,(H,18,21)(H,19,22)
InChIKeyBZGRMLLDGPCCAQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.59
Rot. Bonds11

About N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide

N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide (PubChem CID 59867050) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide.

Molecular Properties

Compound NameN'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
PubChem CID59867050
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCC(=O)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O4/c1-14(21)18-19-15(22)10-8-6-4-2-3-5-7-9-13-20-16(23)11-12-17(20)24/h11-12H,2-10,13H2,1H3,(H,18,21)(H,19,22)
InChIKeyBZGRMLLDGPCCAQ-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The IUPAC name of N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide (CID 59867050) is N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide.
What is the SMILES notation for N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The canonical SMILES for N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide is CC(=O)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The InChIKey is BZGRMLLDGPCCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-14(21)18-19-15(22)10-8-6-4-2-3-5-7-9-13-20-16(23)11-12-17(20)24/h11-12H,2-10,13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide has a molecular weight of 337.42 g/mol, XLogP of 1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide is sourced from PubChem (CID 59867050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).