2-methylidenepentanoic acid;piperidine

C11H21NO2 — CID 89311068

IUPAC2-methylidenepentanoic acid;piperidine
SMILESC1CCNCC1.C=C(CCC)C(=O)O
InChIInChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h2-4H2,1H3,(H,7,8);6H,1-5H2
InChIKeyKCRSRRAELNNYGS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.19
Rot. Bonds3

About 2-methylidenepentanoic acid;piperidine

2-methylidenepentanoic acid;piperidine (PubChem CID 89311068) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methylidenepentanoic acid;piperidine.

Molecular Properties

Compound Name2-methylidenepentanoic acid;piperidine
PubChem CID89311068
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methylidenepentanoic acid;piperidine
SMILESC1CCNCC1.C=C(CCC)C(=O)O
InChIInChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h2-4H2,1H3,(H,7,8);6H,1-5H2
InChIKeyKCRSRRAELNNYGS-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 2-methylidenepentanoic acid;piperidine?
The IUPAC name of 2-methylidenepentanoic acid;piperidine (CID 89311068) is 2-methylidenepentanoic acid;piperidine.
What is the SMILES notation for 2-methylidenepentanoic acid;piperidine?
The canonical SMILES for 2-methylidenepentanoic acid;piperidine is C1CCNCC1.C=C(CCC)C(=O)O.
What is the InChIKey of 2-methylidenepentanoic acid;piperidine?
The InChIKey is KCRSRRAELNNYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H11N/c1-3-4-5(2)6(7)8;1-2-4-6-5-3-1/h2-4H2,1H3,(H,7,8);6H,1-5H2.
What are the key properties of 2-methylidenepentanoic acid;piperidine?
2-methylidenepentanoic acid;piperidine has a molecular weight of 199.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentanoic acid;piperidine is sourced from PubChem (CID 89311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).