(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide

C9H17N3O — CID 20694731

IUPAC(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide
SMILESCN1CCC(/C=C/C(=O)NN)CC1
InChIInChI=1S/C9H17N3O/c1-12-6-4-8(5-7-12)2-3-9(13)11-10/h2-3,8H,4-7,10H2,1H3,(H,11,13)/b3-2+
InChIKeyUTZMDLORHDVDSA-NSCUHMNNSA-N
MW183.25 g/mol
LogP-0.13
Rot. Bonds2

About (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide

(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide (PubChem CID 20694731) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide
PubChem CID20694731
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide
SMILESCN1CCC(/C=C/C(=O)NN)CC1
InChIInChI=1S/C9H17N3O/c1-12-6-4-8(5-7-12)2-3-9(13)11-10/h2-3,8H,4-7,10H2,1H3,(H,11,13)/b3-2+
InChIKeyUTZMDLORHDVDSA-NSCUHMNNSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.13
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-(1-methylpiperidin-4-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide (CID 20694731) is (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide is CN1CCC(/C=C/C(=O)NN)CC1.
What is the InChIKey of (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide?
The InChIKey is UTZMDLORHDVDSA-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12-6-4-8(5-7-12)2-3-9(13)11-10/h2-3,8H,4-7,10H2,1H3,(H,11,13)/b3-2+.
What are the key properties of (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide?
(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide has a molecular weight of 183.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide is sourced from PubChem (CID 20694731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).