(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane

C14H25N3O — CID 171081857

IUPAC(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane
SMILESCC.[H]/N=C1C(=C/C)\N(C)C(=O)CN\1C1CCCC1
InChIInChI=1S/C12H19N3O.C2H6/c1-3-10-12(13)15(8-11(16)14(10)2)9-6-4-5-7-9;1-2/h3,9,13H,4-8H2,1-2H3;1-2H3/b10-3+,13-12+;
InChIKeyUMLMLYFAVDYSRP-AYKSYQMPSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds1

About (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane

(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane (PubChem CID 171081857) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane.

Molecular Properties

Compound Name(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane
PubChem CID171081857
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane
SMILESCC.[H]/N=C1C(=C/C)\N(C)C(=O)CN\1C1CCCC1
InChIInChI=1S/C12H19N3O.C2H6/c1-3-10-12(13)15(8-11(16)14(10)2)9-6-4-5-7-9;1-2/h3,9,13H,4-8H2,1-2H3;1-2H3/b10-3+,13-12+;
InChIKeyUMLMLYFAVDYSRP-AYKSYQMPSA-N
XLogP2.61
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-imino-4,6,6-trimethyl-3-methylidene-1,4-diazepan-5-one
CID 89028261
(3E)-3-(aminomethylidene)-1-[(1R)-3,3-difluorocyclopentyl]-2-imino-4,6,6-trimethyl-1,4-diazepan-5-one
CID 136594647
2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
CID 118268286
3-cyclohexyl-1-cyclopentylimidazolidine-2,4-dione
CID 60836782
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413
1-cyclohexyl-4-methylpiperazin-2-one
CID 58742110
1-cyclohexyl-3-iminopyrrolidin-2-one
CID 6920742
1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one
CID 123376975
1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol
CID 135499809
1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
CID 171137180
chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold
CID 87424186
1-cyclopentyl-3-(methoxymethyl)imidazolidine-2,4-dione
CID 71972019

Frequently Asked Questions

What is the IUPAC name of (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane?
The IUPAC name of (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane (CID 171081857) is (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane.
What is the SMILES notation for (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane?
The canonical SMILES for (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane is CC.[H]/N=C1C(=C/C)\N(C)C(=O)CN\1C1CCCC1.
What is the InChIKey of (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane?
The InChIKey is UMLMLYFAVDYSRP-AYKSYQMPSA-N. The full InChI is InChI=1S/C12H19N3O.C2H6/c1-3-10-12(13)15(8-11(16)14(10)2)9-6-4-5-7-9;1-2/h3,9,13H,4-8H2,1-2H3;1-2H3/b10-3+,13-12+;.
What are the key properties of (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane?
(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane has a molecular weight of 251.37 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane is sourced from PubChem (CID 171081857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).