N-butyl-N'-pentylprop-2-enehydrazide

C12H24N2O — CID 87505162

IUPACN-butyl-N'-pentylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCCCCC
InChIInChI=1S/C12H24N2O/c1-4-7-9-10-13-14(11-8-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3
InChIKeyKXNFEBNTHPBOMG-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.50
Rot. Bonds9

About N-butyl-N'-pentylprop-2-enehydrazide

N-butyl-N'-pentylprop-2-enehydrazide (PubChem CID 87505162) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-butyl-N'-pentylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-N'-pentylprop-2-enehydrazide
PubChem CID87505162
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-butyl-N'-pentylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCCCCC
InChIInChI=1S/C12H24N2O/c1-4-7-9-10-13-14(11-8-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3
InChIKeyKXNFEBNTHPBOMG-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
N,N,N-trimethylamino-N-acryloylaminopropylammonium chloride
CID 129761757
N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
N'-tert-butyl-N-propylprop-2-enehydrazide
CID 53914607
2-pentyl-1H-pyrazol-3-one
CID 66714758
1-(Diazepan-1-yl)prop-2-en-1-one
CID 67353307
2-hexyl-1H-pyrazol-3-one
CID 69771331
2-(5-aminopentyl)-1H-pyrazol-3-one
CID 70524379
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
N-[5-(ethylamino)pentyl]prop-2-enamide
CID 87067413
N-[5-(methylamino)pentyl]prop-2-enamide
CID 87067533

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-pentylprop-2-enehydrazide?
The IUPAC name of N-butyl-N'-pentylprop-2-enehydrazide (CID 87505162) is N-butyl-N'-pentylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-N'-pentylprop-2-enehydrazide?
The canonical SMILES for N-butyl-N'-pentylprop-2-enehydrazide is C=CC(=O)N(CCCC)NCCCCC.
What is the InChIKey of N-butyl-N'-pentylprop-2-enehydrazide?
The InChIKey is KXNFEBNTHPBOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-9-10-13-14(11-8-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3.
What are the key properties of N-butyl-N'-pentylprop-2-enehydrazide?
N-butyl-N'-pentylprop-2-enehydrazide has a molecular weight of 212.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-pentylprop-2-enehydrazide is sourced from PubChem (CID 87505162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).