(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde

C7H11NO — CID 45092485

IUPAC(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde
SMILESCN1CCC/C1=C\C=O
InChIInChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h4,6H,2-3,5H2,1H3/b7-4+
InChIKeyGYVCMOZWUJFSBJ-QPJJXVBHSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds1

About (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde

(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde (PubChem CID 45092485) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde
PubChem CID45092485
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde
SMILESCN1CCC/C1=C\C=O
InChIInChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h4,6H,2-3,5H2,1H3/b7-4+
InChIKeyGYVCMOZWUJFSBJ-QPJJXVBHSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde?
The IUPAC name of (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde (CID 45092485) is (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde.
What is the SMILES notation for (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde?
The canonical SMILES for (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde is CN1CCC/C1=C\C=O.
What is the InChIKey of (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde?
The InChIKey is GYVCMOZWUJFSBJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h4,6H,2-3,5H2,1H3/b7-4+.
What are the key properties of (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde?
(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde is sourced from PubChem (CID 45092485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).