(E)-3-(oxan-4-yl)prop-2-enehydrazide

C8H14N2O2 — CID 131235707

IUPAC(E)-3-(oxan-4-yl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/C1CCOCC1
InChIInChI=1S/C8H14N2O2/c9-10-8(11)2-1-7-3-5-12-6-4-7/h1-2,7H,3-6,9H2,(H,10,11)/b2-1+
InChIKeyLCMIZFZHZGJOHB-OWOJBTEDSA-N
MW170.21 g/mol
LogP-0.04
Rot. Bonds2

About (E)-3-(oxan-4-yl)prop-2-enehydrazide

(E)-3-(oxan-4-yl)prop-2-enehydrazide (PubChem CID 131235707) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-3-(oxan-4-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(oxan-4-yl)prop-2-enehydrazide
PubChem CID131235707
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-3-(oxan-4-yl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/C1CCOCC1
InChIInChI=1S/C8H14N2O2/c9-10-8(11)2-1-7-3-5-12-6-4-7/h1-2,7H,3-6,9H2,(H,10,11)/b2-1+
InChIKeyLCMIZFZHZGJOHB-OWOJBTEDSA-N
XLogP-0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (E)-3-(oxan-4-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(oxan-4-yl)prop-2-enehydrazide (CID 131235707) is (E)-3-(oxan-4-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(oxan-4-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(oxan-4-yl)prop-2-enehydrazide is NNC(=O)/C=C/C1CCOCC1.
What is the InChIKey of (E)-3-(oxan-4-yl)prop-2-enehydrazide?
The InChIKey is LCMIZFZHZGJOHB-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-10-8(11)2-1-7-3-5-12-6-4-7/h1-2,7H,3-6,9H2,(H,10,11)/b2-1+.
What are the key properties of (E)-3-(oxan-4-yl)prop-2-enehydrazide?
(E)-3-(oxan-4-yl)prop-2-enehydrazide has a molecular weight of 170.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(oxan-4-yl)prop-2-enehydrazide is sourced from PubChem (CID 131235707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).