2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid

C11H17NO3 — CID 62677581

IUPAC2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid
SMILESC=CCCC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-3-6-10(13)12-7-4-5-9(12)8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyZISFYIPORDRZLD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid

2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid (PubChem CID 62677581) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid
PubChem CID62677581
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid
SMILESC=CCCC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-3-6-10(13)12-7-4-5-9(12)8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyZISFYIPORDRZLD-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid (CID 62677581) is 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid is C=CCCC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid?
The InChIKey is ZISFYIPORDRZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-6-10(13)12-7-4-5-9(12)8-11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid?
2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pent-4-enoylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 62677581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).