(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one

C14H22N2O — CID 177230895

IUPAC(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one
SMILESC=C1CNCC(C2CC2)N1/C(=C\CC)C(C)=O
InChIInChI=1S/C14H22N2O/c1-4-5-13(11(3)17)16-10(2)8-15-9-14(16)12-6-7-12/h5,12,14-15H,2,4,6-9H2,1,3H3/b13-5-
InChIKeyGGJVIHMDZWROSB-ACAGNQJTSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds4

About (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one

(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one (PubChem CID 177230895) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one
PubChem CID177230895
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one
SMILESC=C1CNCC(C2CC2)N1/C(=C\CC)C(C)=O
InChIInChI=1S/C14H22N2O/c1-4-5-13(11(3)17)16-10(2)8-15-9-14(16)12-6-7-12/h5,12,14-15H,2,4,6-9H2,1,3H3/b13-5-
InChIKeyGGJVIHMDZWROSB-ACAGNQJTSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one?
The IUPAC name of (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one (CID 177230895) is (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one.
What is the SMILES notation for (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one?
The canonical SMILES for (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one is C=C1CNCC(C2CC2)N1/C(=C\CC)C(C)=O.
What is the InChIKey of (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one?
The InChIKey is GGJVIHMDZWROSB-ACAGNQJTSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-13(11(3)17)16-10(2)8-15-9-14(16)12-6-7-12/h5,12,14-15H,2,4,6-9H2,1,3H3/b13-5-.
What are the key properties of (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one?
(Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-cyclopropyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one is sourced from PubChem (CID 177230895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).