N-(3-methylbut-2-enyl)pentanehydrazide

C10H20N2O — CID 54492486

IUPACN-(3-methylbut-2-enyl)pentanehydrazide
SMILESCCCCC(=O)N(N)CC=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-10(13)12(11)8-7-9(2)3/h7H,4-6,8,11H2,1-3H3
InChIKeyXWSFVORISMLSGC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.85
Rot. Bonds5

About N-(3-methylbut-2-enyl)pentanehydrazide

N-(3-methylbut-2-enyl)pentanehydrazide (PubChem CID 54492486) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)pentanehydrazide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)pentanehydrazide
PubChem CID54492486
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-methylbut-2-enyl)pentanehydrazide
SMILESCCCCC(=O)N(N)CC=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-10(13)12(11)8-7-9(2)3/h7H,4-6,8,11H2,1-3H3
InChIKeyXWSFVORISMLSGC-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(3-methylbut-2-enyl)pentanehydrazide?
The IUPAC name of N-(3-methylbut-2-enyl)pentanehydrazide (CID 54492486) is N-(3-methylbut-2-enyl)pentanehydrazide.
What is the SMILES notation for N-(3-methylbut-2-enyl)pentanehydrazide?
The canonical SMILES for N-(3-methylbut-2-enyl)pentanehydrazide is CCCCC(=O)N(N)CC=C(C)C.
What is the InChIKey of N-(3-methylbut-2-enyl)pentanehydrazide?
The InChIKey is XWSFVORISMLSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-10(13)12(11)8-7-9(2)3/h7H,4-6,8,11H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)pentanehydrazide?
N-(3-methylbut-2-enyl)pentanehydrazide has a molecular weight of 184.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)pentanehydrazide is sourced from PubChem (CID 54492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).