3-methyl-N'-propanoylcyclobutane-1-carbohydrazide

C9H16N2O2 — CID 131131894

IUPAC3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
SMILESCCC(=O)NNC(=O)C1CC(C)C1
InChIInChI=1S/C9H16N2O2/c1-3-8(12)10-11-9(13)7-4-6(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyZDVADWNNFUEUKR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.59
Rot. Bonds2

About 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide

3-methyl-N'-propanoylcyclobutane-1-carbohydrazide (PubChem CID 131131894) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
PubChem CID131131894
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
SMILESCCC(=O)NNC(=O)C1CC(C)C1
InChIInChI=1S/C9H16N2O2/c1-3-8(12)10-11-9(13)7-4-6(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyZDVADWNNFUEUKR-UHFFFAOYSA-N
XLogP0.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexanohydrazide
CID 3496881
Valeric acid, 2-propyl-, hydrazide
CID 211190
2-methyl-N'-(3-methylbutanoyl)propanohydrazide
CID 1756352
Cyclobutanecarbohydrazide
CID 969366
1,2-Dipentanoylhydrazine
CID 15312527
cis-(1S,2S)-2-fluorocyclobutane-1-carbohydrazide
CID 134532071
cis-(1R,2R)-2-fluorocyclobutane-1-carbohydrazide
CID 134532072
trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide
CID 134532073
trans-(1R,2S)-2-fluorocyclobutane-1-carbohydrazide
CID 134532076
3-Fluorocyclobutanecarbohydrazide
CID 139508943
2-Fluorocyclobutane-1-carbohydrazide
CID 139509094
3-methyl-N'-(3-methylbutanoyl)butanehydrazide
CID 280982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide?
The IUPAC name of 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide (CID 131131894) is 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide?
The canonical SMILES for 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide is CCC(=O)NNC(=O)C1CC(C)C1.
What is the InChIKey of 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide?
The InChIKey is ZDVADWNNFUEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8(12)10-11-9(13)7-4-6(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide?
3-methyl-N'-propanoylcyclobutane-1-carbohydrazide has a molecular weight of 184.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-propanoylcyclobutane-1-carbohydrazide is sourced from PubChem (CID 131131894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).