(E)-2-methylpent-2-enoic acid;piperidine

C11H21NO2 — CID 89311067

IUPAC(E)-2-methylpent-2-enoic acid;piperidine
SMILESC1CCNCC1.CC/C=C(\C)C(=O)O
InChIInChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);6H,1-5H2/b5-4+;
InChIKeyFXHJEEVWTBNFTH-FXRZFVDSSA-N
MW199.29 g/mol
LogP2.19
Rot. Bonds2

About (E)-2-methylpent-2-enoic acid;piperidine

(E)-2-methylpent-2-enoic acid;piperidine (PubChem CID 89311067) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-2-methylpent-2-enoic acid;piperidine.

Molecular Properties

Compound Name(E)-2-methylpent-2-enoic acid;piperidine
PubChem CID89311067
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-2-methylpent-2-enoic acid;piperidine
SMILESC1CCNCC1.CC/C=C(\C)C(=O)O
InChIInChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);6H,1-5H2/b5-4+;
InChIKeyFXHJEEVWTBNFTH-FXRZFVDSSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-2-methylpent-2-enoic acid;piperidine?
The IUPAC name of (E)-2-methylpent-2-enoic acid;piperidine (CID 89311067) is (E)-2-methylpent-2-enoic acid;piperidine.
What is the SMILES notation for (E)-2-methylpent-2-enoic acid;piperidine?
The canonical SMILES for (E)-2-methylpent-2-enoic acid;piperidine is C1CCNCC1.CC/C=C(\C)C(=O)O.
What is the InChIKey of (E)-2-methylpent-2-enoic acid;piperidine?
The InChIKey is FXHJEEVWTBNFTH-FXRZFVDSSA-N. The full InChI is InChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);6H,1-5H2/b5-4+;.
What are the key properties of (E)-2-methylpent-2-enoic acid;piperidine?
(E)-2-methylpent-2-enoic acid;piperidine has a molecular weight of 199.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylpent-2-enoic acid;piperidine is sourced from PubChem (CID 89311067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).