acetaldehyde;3,4-dihydro-2H-pyrrole

C6H11NO — CID 88683678

IUPACacetaldehyde;3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1.CC=O
InChIInChI=1S/C4H7N.C2H4O/c1-2-4-5-3-1;1-2-3/h3H,1-2,4H2;2H,1H3
InChIKeyWMFIPQMOJWJLES-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds

About acetaldehyde;3,4-dihydro-2H-pyrrole

acetaldehyde;3,4-dihydro-2H-pyrrole (PubChem CID 88683678) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is acetaldehyde;3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Nameacetaldehyde;3,4-dihydro-2H-pyrrole
PubChem CID88683678
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameacetaldehyde;3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1.CC=O
InChIInChI=1S/C4H7N.C2H4O/c1-2-4-5-3-1;1-2-3/h3H,1-2,4H2;2H,1H3
InChIKeyWMFIPQMOJWJLES-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 acetaldehyde;3,4-dihydro-2H-pyrrole?
The IUPAC name of acetaldehyde;3,4-dihydro-2H-pyrrole (CID 88683678) is acetaldehyde;3,4-dihydro-2H-pyrrole.
What is the SMILES notation for acetaldehyde;3,4-dihydro-2H-pyrrole?
The canonical SMILES for acetaldehyde;3,4-dihydro-2H-pyrrole is C1=NCCC1.CC=O.
What is the InChIKey of acetaldehyde;3,4-dihydro-2H-pyrrole?
The InChIKey is WMFIPQMOJWJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H4O/c1-2-4-5-3-1;1-2-3/h3H,1-2,4H2;2H,1H3.
What are the key properties of acetaldehyde;3,4-dihydro-2H-pyrrole?
acetaldehyde;3,4-dihydro-2H-pyrrole has a molecular weight of 113.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 88683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).