1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone

C10H17N3O — CID 90091367

IUPAC1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone
SMILESC/C=C\N1CCN(C(C)=O)C/C1=N\C
InChIInChI=1S/C10H17N3O/c1-4-5-12-6-7-13(9(2)14)8-10(12)11-3/h4-5H,6-8H2,1-3H3/b5-4-,11-10+
InChIKeyNLHBNAALLZNWNR-JWPKELMXSA-N
MW195.27 g/mol
LogP0.71
Rot. Bonds1

About 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone

1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone (PubChem CID 90091367) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone
PubChem CID90091367
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone
SMILESC/C=C\N1CCN(C(C)=O)C/C1=N\C
InChIInChI=1S/C10H17N3O/c1-4-5-12-6-7-13(9(2)14)8-10(12)11-3/h4-5H,6-8H2,1-3H3/b5-4-,11-10+
InChIKeyNLHBNAALLZNWNR-JWPKELMXSA-N
XLogP0.71
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone (CID 90091367) is 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone is C/C=C\N1CCN(C(C)=O)C/C1=N\C.
What is the InChIKey of 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone?
The InChIKey is NLHBNAALLZNWNR-JWPKELMXSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-12-6-7-13(9(2)14)8-10(12)11-3/h4-5H,6-8H2,1-3H3/b5-4-,11-10+.
What are the key properties of 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone?
1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone has a molecular weight of 195.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90091367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).