N'-pentyl-N-propylprop-2-enehydrazide

C11H22N2O — CID 87504088

IUPACN'-pentyl-N-propylprop-2-enehydrazide
SMILESC=CC(=O)N(CCC)NCCCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-9-12-13(10-5-2)11(14)6-3/h6,12H,3-5,7-10H2,1-2H3
InChIKeyCUZCMCCGQPQXPN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.11
Rot. Bonds8

About N'-pentyl-N-propylprop-2-enehydrazide

N'-pentyl-N-propylprop-2-enehydrazide (PubChem CID 87504088) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-pentyl-N-propylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-pentyl-N-propylprop-2-enehydrazide
PubChem CID87504088
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-pentyl-N-propylprop-2-enehydrazide
SMILESC=CC(=O)N(CCC)NCCCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-9-12-13(10-5-2)11(14)6-3/h6,12H,3-5,7-10H2,1-2H3
InChIKeyCUZCMCCGQPQXPN-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of N'-pentyl-N-propylprop-2-enehydrazide?
The IUPAC name of N'-pentyl-N-propylprop-2-enehydrazide (CID 87504088) is N'-pentyl-N-propylprop-2-enehydrazide.
What is the SMILES notation for N'-pentyl-N-propylprop-2-enehydrazide?
The canonical SMILES for N'-pentyl-N-propylprop-2-enehydrazide is C=CC(=O)N(CCC)NCCCCC.
What is the InChIKey of N'-pentyl-N-propylprop-2-enehydrazide?
The InChIKey is CUZCMCCGQPQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-8-9-12-13(10-5-2)11(14)6-3/h6,12H,3-5,7-10H2,1-2H3.
What are the key properties of N'-pentyl-N-propylprop-2-enehydrazide?
N'-pentyl-N-propylprop-2-enehydrazide has a molecular weight of 198.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentyl-N-propylprop-2-enehydrazide is sourced from PubChem (CID 87504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).