(Z)-but-2-enedioic acid;1-ethylpiperazine

C10H18N2O4 — CID 175604137

IUPAC(Z)-but-2-enedioic acid;1-ethylpiperazine
SMILESCCN1CCNCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H14N2.C4H4O4/c1-2-8-5-3-7-4-6-8;5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyFQVHRFVEJHFROF-BTJKTKAUSA-N
MW230.26 g/mol
LogP-0.38
Rot. Bonds3

About (Z)-but-2-enedioic acid;1-ethylpiperazine

(Z)-but-2-enedioic acid;1-ethylpiperazine (PubChem CID 175604137) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;1-ethylpiperazine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;1-ethylpiperazine
PubChem CID175604137
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(Z)-but-2-enedioic acid;1-ethylpiperazine
SMILESCCN1CCNCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H14N2.C4H4O4/c1-2-8-5-3-7-4-6-8;5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyFQVHRFVEJHFROF-BTJKTKAUSA-N
XLogP-0.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.38
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

ethanesulfonic acid;1-ethylpiperazine
CID 18427549
1-ethylpiperazine;methanethioamide
CID 175299893
but-2-enedioic acid;piperazine
CID 173189024
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
1-ethylpiperazine;methane;N-methylmethanamine
CID 68903737
(E)-4-(4-ethylpiperazin-1-yl)but-2-enoic acid;hydrochloride
CID 138617521
(E)-4-(1,4-diazepan-1-yl)but-2-enoic acid
CID 62343930
ethane;2-piperazin-1-ylacetic acid
CID 143723779
2-ethyl-4-piperazin-1-ylbut-2-enoic acid
CID 77102205
1-ethylpiperazine;pentan-1-ol
CID 175276657
(E)-but-2-enedioic acid;1,4-diazabicyclo[2.2.2]octane
CID 131851898
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;1-ethylpiperazine?
The IUPAC name of (Z)-but-2-enedioic acid;1-ethylpiperazine (CID 175604137) is (Z)-but-2-enedioic acid;1-ethylpiperazine.
What is the SMILES notation for (Z)-but-2-enedioic acid;1-ethylpiperazine?
The canonical SMILES for (Z)-but-2-enedioic acid;1-ethylpiperazine is CCN1CCNCC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;1-ethylpiperazine?
The InChIKey is FQVHRFVEJHFROF-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H14N2.C4H4O4/c1-2-8-5-3-7-4-6-8;5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;1-ethylpiperazine?
(Z)-but-2-enedioic acid;1-ethylpiperazine has a molecular weight of 230.26 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;1-ethylpiperazine is sourced from PubChem (CID 175604137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).