pyrrolidine-3-carbaldehyde;hydrochloride

C5H10ClNO — CID 66569488

IUPACpyrrolidine-3-carbaldehyde;hydrochloride
SMILESCl.O=CC1CCNC1
InChIInChI=1S/C5H9NO.ClH/c7-4-5-1-2-6-3-5;/h4-6H,1-3H2;1H
InChIKeyLPBKOXKUJWTOOY-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.22
Rot. Bonds1

About pyrrolidine-3-carbaldehyde;hydrochloride

pyrrolidine-3-carbaldehyde;hydrochloride (PubChem CID 66569488) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is pyrrolidine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-3-carbaldehyde;hydrochloride
PubChem CID66569488
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Namepyrrolidine-3-carbaldehyde;hydrochloride
SMILESCl.O=CC1CCNC1
InChIInChI=1S/C5H9NO.ClH/c7-4-5-1-2-6-3-5;/h4-6H,1-3H2;1H
InChIKeyLPBKOXKUJWTOOY-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3-carbaldehyde;hydrochloride?
The IUPAC name of pyrrolidine-3-carbaldehyde;hydrochloride (CID 66569488) is pyrrolidine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for pyrrolidine-3-carbaldehyde;hydrochloride?
The canonical SMILES for pyrrolidine-3-carbaldehyde;hydrochloride is Cl.O=CC1CCNC1.
What is the InChIKey of pyrrolidine-3-carbaldehyde;hydrochloride?
The InChIKey is LPBKOXKUJWTOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c7-4-5-1-2-6-3-5;/h4-6H,1-3H2;1H.
What are the key properties of pyrrolidine-3-carbaldehyde;hydrochloride?
pyrrolidine-3-carbaldehyde;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 66569488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).