(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid

C10H17NO2 — CID 117267436

IUPAC(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid
SMILESCN1CCC(C/C=C\CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-11-7-6-9(8-11)4-2-3-5-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2-
InChIKeyBFQIEYBLULCQAR-IHWYPQMZSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds4

About (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid

(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid (PubChem CID 117267436) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid
PubChem CID117267436
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid
SMILESCN1CCC(C/C=C\CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-11-7-6-9(8-11)4-2-3-5-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2-
InChIKeyBFQIEYBLULCQAR-IHWYPQMZSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
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 (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid?
The IUPAC name of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid (CID 117267436) is (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid.
What is the SMILES notation for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid?
The canonical SMILES for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid is CN1CCC(C/C=C\CC(=O)O)C1.
What is the InChIKey of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid?
The InChIKey is BFQIEYBLULCQAR-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-6-9(8-11)4-2-3-5-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2-.
What are the key properties of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid?
(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid is sourced from PubChem (CID 117267436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).