(Z)-pyrrolidin-2-ylidenemethanol

C5H9NO — CID 55300390

IUPAC(Z)-pyrrolidin-2-ylidenemethanol
SMILESO/C=C1/CCCN1
InChIInChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4,6-7H,1-3H2/b5-4-
InChIKeyKGJBIHMUKZONKO-PLNGDYQASA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds

About (Z)-pyrrolidin-2-ylidenemethanol

(Z)-pyrrolidin-2-ylidenemethanol (PubChem CID 55300390) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-pyrrolidin-2-ylidenemethanol.

Molecular Properties

Compound Name(Z)-pyrrolidin-2-ylidenemethanol
PubChem CID55300390
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-pyrrolidin-2-ylidenemethanol
SMILESO/C=C1/CCCN1
InChIInChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4,6-7H,1-3H2/b5-4-
InChIKeyKGJBIHMUKZONKO-PLNGDYQASA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-pyrrolidin-2-ylidenemethanol?
The IUPAC name of (Z)-pyrrolidin-2-ylidenemethanol (CID 55300390) is (Z)-pyrrolidin-2-ylidenemethanol.
What is the SMILES notation for (Z)-pyrrolidin-2-ylidenemethanol?
The canonical SMILES for (Z)-pyrrolidin-2-ylidenemethanol is O/C=C1/CCCN1.
What is the InChIKey of (Z)-pyrrolidin-2-ylidenemethanol?
The InChIKey is KGJBIHMUKZONKO-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4,6-7H,1-3H2/b5-4-.
What are the key properties of (Z)-pyrrolidin-2-ylidenemethanol?
(Z)-pyrrolidin-2-ylidenemethanol has a molecular weight of 99.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pyrrolidin-2-ylidenemethanol is sourced from PubChem (CID 55300390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).