N-butyl-3-(cyclopropen-1-yl)propanehydrazide

C10H18N2O — CID 175827850

IUPACN-butyl-3-(cyclopropen-1-yl)propanehydrazide
SMILESCCCCN(N)C(=O)CCC1=CC1
InChIInChI=1S/C10H18N2O/c1-2-3-8-12(11)10(13)7-6-9-4-5-9/h4H,2-3,5-8,11H2,1H3
InChIKeyZEZUDRQEPCNSAN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.60
Rot. Bonds6

About N-butyl-3-(cyclopropen-1-yl)propanehydrazide

N-butyl-3-(cyclopropen-1-yl)propanehydrazide (PubChem CID 175827850) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-butyl-3-(cyclopropen-1-yl)propanehydrazide.

Molecular Properties

Compound NameN-butyl-3-(cyclopropen-1-yl)propanehydrazide
PubChem CID175827850
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-butyl-3-(cyclopropen-1-yl)propanehydrazide
SMILESCCCCN(N)C(=O)CCC1=CC1
InChIInChI=1S/C10H18N2O/c1-2-3-8-12(11)10(13)7-6-9-4-5-9/h4H,2-3,5-8,11H2,1H3
InChIKeyZEZUDRQEPCNSAN-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.60
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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Related Compounds

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CID 22613544
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
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CID 165487733
1-pentylcyclopropene
CID 159067584
1-tridecylcyclopropene
CID 22621692
1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide
CID 150394471
3-(4-aminophenyl)-N-butyl-N-cyclopropylpropanamide
CID 61105833
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N-butylthiophene-2-carbohydrazide
CID 54350563
N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679458
1,3-diamino-1-(3-aminopropyl)-3-ethylurea
CID 159857714
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(cyclopropen-1-yl)propanehydrazide?
The IUPAC name of N-butyl-3-(cyclopropen-1-yl)propanehydrazide (CID 175827850) is N-butyl-3-(cyclopropen-1-yl)propanehydrazide.
What is the SMILES notation for N-butyl-3-(cyclopropen-1-yl)propanehydrazide?
The canonical SMILES for N-butyl-3-(cyclopropen-1-yl)propanehydrazide is CCCCN(N)C(=O)CCC1=CC1.
What is the InChIKey of N-butyl-3-(cyclopropen-1-yl)propanehydrazide?
The InChIKey is ZEZUDRQEPCNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-8-12(11)10(13)7-6-9-4-5-9/h4H,2-3,5-8,11H2,1H3.
What are the key properties of N-butyl-3-(cyclopropen-1-yl)propanehydrazide?
N-butyl-3-(cyclopropen-1-yl)propanehydrazide has a molecular weight of 182.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(cyclopropen-1-yl)propanehydrazide is sourced from PubChem (CID 175827850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).