(E)-but-2-enediamide;1,2-dimethylpiperazine

C10H20N4O2 — CID 70408576

IUPAC(E)-but-2-enediamide;1,2-dimethylpiperazine
SMILESCC1CNCCN1C.NC(=O)/C=C/C(N)=O
InChIInChI=1S/C6H14N2.C4H6N2O2/c1-6-5-7-3-4-8(6)2;5-3(7)1-2-4(6)8/h6-7H,3-5H2,1-2H3;1-2H,(H2,5,7)(H2,6,8)/b;2-1+
InChIKeyYSNMDQYJVKFSFN-WLHGVMLRSA-N
MW228.30 g/mol
LogP-1.58
Rot. Bonds2

About (E)-but-2-enediamide;1,2-dimethylpiperazine

(E)-but-2-enediamide;1,2-dimethylpiperazine (PubChem CID 70408576) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (E)-but-2-enediamide;1,2-dimethylpiperazine.

Molecular Properties

Compound Name(E)-but-2-enediamide;1,2-dimethylpiperazine
PubChem CID70408576
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name(E)-but-2-enediamide;1,2-dimethylpiperazine
SMILESCC1CNCCN1C.NC(=O)/C=C/C(N)=O
InChIInChI=1S/C6H14N2.C4H6N2O2/c1-6-5-7-3-4-8(6)2;5-3(7)1-2-4(6)8/h6-7H,3-5H2,1-2H3;1-2H,(H2,5,7)(H2,6,8)/b;2-1+
InChIKeyYSNMDQYJVKFSFN-WLHGVMLRSA-N
XLogP-1.58
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nigragillin
CID 71454343
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
Piperazine diacrylamide
CID 21918327
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
(E)-4-fluoro-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 153584807
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
1,2-Dimethylpiperazine;prop-2-enamide
CID 22444655
1-(3,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 23034639
CID 58998107
CID 58998107
(E)-N-methyl-4-oxo-4-(4-propanoylpiperazin-1-yl)but-2-enamide
CID 59838968
N-(1-Acryloylpiperidin-3-yl)acetamide
CID 60949044

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enediamide;1,2-dimethylpiperazine?
The IUPAC name of (E)-but-2-enediamide;1,2-dimethylpiperazine (CID 70408576) is (E)-but-2-enediamide;1,2-dimethylpiperazine.
What is the SMILES notation for (E)-but-2-enediamide;1,2-dimethylpiperazine?
The canonical SMILES for (E)-but-2-enediamide;1,2-dimethylpiperazine is CC1CNCCN1C.NC(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-but-2-enediamide;1,2-dimethylpiperazine?
The InChIKey is YSNMDQYJVKFSFN-WLHGVMLRSA-N. The full InChI is InChI=1S/C6H14N2.C4H6N2O2/c1-6-5-7-3-4-8(6)2;5-3(7)1-2-4(6)8/h6-7H,3-5H2,1-2H3;1-2H,(H2,5,7)(H2,6,8)/b;2-1+.
What are the key properties of (E)-but-2-enediamide;1,2-dimethylpiperazine?
(E)-but-2-enediamide;1,2-dimethylpiperazine has a molecular weight of 228.30 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enediamide;1,2-dimethylpiperazine is sourced from PubChem (CID 70408576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).