ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide

C9H21N3O2 — CID 170571174

IUPACethane;N-(3-hydrazinyl-3-oxopropyl)butanamide
SMILESCC.CCCC(=O)NCCC(=O)NN
InChIInChI=1S/C7H15N3O2.C2H6/c1-2-3-6(11)9-5-4-7(12)10-8;1-2/h2-5,8H2,1H3,(H,9,11)(H,10,12);1-2H3
InChIKeyIWEZFHLMFKAYEL-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.31
Rot. Bonds5

About ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide

ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide (PubChem CID 170571174) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide.

Molecular Properties

Compound Nameethane;N-(3-hydrazinyl-3-oxopropyl)butanamide
PubChem CID170571174
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Nameethane;N-(3-hydrazinyl-3-oxopropyl)butanamide
SMILESCC.CCCC(=O)NCCC(=O)NN
InChIInChI=1S/C7H15N3O2.C2H6/c1-2-3-6(11)9-5-4-7(12)10-8;1-2/h2-5,8H2,1H3,(H,9,11)(H,10,12);1-2H3
InChIKeyIWEZFHLMFKAYEL-UHFFFAOYSA-N
XLogP0.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide?
The IUPAC name of ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide (CID 170571174) is ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide.
What is the SMILES notation for ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide?
The canonical SMILES for ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide is CC.CCCC(=O)NCCC(=O)NN.
What is the InChIKey of ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide?
The InChIKey is IWEZFHLMFKAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2H6/c1-2-3-6(11)9-5-4-7(12)10-8;1-2/h2-5,8H2,1H3,(H,9,11)(H,10,12);1-2H3.
What are the key properties of ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide?
ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide has a molecular weight of 203.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide is sourced from PubChem (CID 170571174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).