N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

C12H17N3O4 — CID 90364706

IUPACN'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N3O4/c1-9(16)13-14-10(17)5-3-2-4-8-15-11(18)6-7-12(15)19/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJORQNRJPOHDXLE-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.36
Rot. Bonds6

About N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (PubChem CID 90364706) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound NameN'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
PubChem CID90364706
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N3O4/c1-9(16)13-14-10(17)5-3-2-4-8-15-11(18)6-7-12(15)19/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJORQNRJPOHDXLE-UHFFFAOYSA-N
XLogP-0.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.36
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-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The IUPAC name of N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (CID 90364706) is N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The canonical SMILES for N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is CC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The InChIKey is JORQNRJPOHDXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(16)13-14-10(17)5-3-2-4-8-15-11(18)6-7-12(15)19/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide has a molecular weight of 267.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is sourced from PubChem (CID 90364706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).