4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one

C15H20F3N3O4 — CID 91069004

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.C3H3F3O/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;1-2(7)3(4,5)6/h5-6,8-9H,1-4,7,13H2,(H,14,18);1H3
InChIKeyNMTQTHDOACZYRP-UHFFFAOYSA-N
MW363.34 g/mol
LogP0.85
Rot. Bonds3

About 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one

4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one (PubChem CID 91069004) has the molecular formula C15H20F3N3O4 and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one
PubChem CID91069004
Molecular FormulaC15H20F3N3O4
Molecular Weight363.34 g/mol
Exact Mass363.14
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.C3H3F3O/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;1-2(7)3(4,5)6/h5-6,8-9H,1-4,7,13H2,(H,14,18);1H3
InChIKeyNMTQTHDOACZYRP-UHFFFAOYSA-N
XLogP0.85
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarbohydrazide
CID 4200874
4-(Maleimidomethyl)cyclohexane-1-carboxyl-hydrazide, Trifluoroacetic Acid Salt
CID 53482070
[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]carbamoyl 2,2,2-trifluoroacetate
CID 174241392
C20H29F3N4O6
CID 156026758
Mal-C2-cyclohexylcarboxyl-hydrazide hydrochloride
CID 16737821
[[2-[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]amino]azanium
CID 59266690
4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride
CID 66688235
N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-2-ethylpentanehydrazide
CID 68280462
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide
CID 71081334
N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 90328873
[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]carbamic acid
CID 135315606
[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]-dimethyl-(methylamino)azanium
CID 170964437

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one (CID 91069004) is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one?
The InChIKey is NMTQTHDOACZYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.C3H3F3O/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;1-2(7)3(4,5)6/h5-6,8-9H,1-4,7,13H2,(H,14,18);1H3.
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one?
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one has a molecular weight of 363.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 91069004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).