prop-2-enyl 2-methylpiperazine-1-carboxylate

C9H16N2O2 — CID 23078614

IUPACprop-2-enyl 2-methylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCNCC1C
InChIInChI=1S/C9H16N2O2/c1-3-6-13-9(12)11-5-4-10-7-8(11)2/h3,8,10H,1,4-7H2,2H3
InChIKeyXQEPYFZDFREWCH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.60
Rot. Bonds2

About prop-2-enyl 2-methylpiperazine-1-carboxylate

prop-2-enyl 2-methylpiperazine-1-carboxylate (PubChem CID 23078614) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is prop-2-enyl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-methylpiperazine-1-carboxylate
PubChem CID23078614
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameprop-2-enyl 2-methylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCNCC1C
InChIInChI=1S/C9H16N2O2/c1-3-6-13-9(12)11-5-4-10-7-8(11)2/h3,8,10H,1,4-7H2,2H3
InChIKeyXQEPYFZDFREWCH-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methylpiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-methylpiperazine-1-carboxylate (CID 23078614) is prop-2-enyl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-methylpiperazine-1-carboxylate is C=CCOC(=O)N1CCNCC1C.
What is the InChIKey of prop-2-enyl 2-methylpiperazine-1-carboxylate?
The InChIKey is XQEPYFZDFREWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6-13-9(12)11-5-4-10-7-8(11)2/h3,8,10H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 2-methylpiperazine-1-carboxylate?
prop-2-enyl 2-methylpiperazine-1-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 23078614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).