2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde

C12H13NO — CID 174678253

IUPAC2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-4,6-8,10,12H,5,9H2
InChIKeyBMEKXSIJGNOGIM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.15
Rot. Bonds3

About 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde

2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde (PubChem CID 174678253) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde
PubChem CID174678253
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-4,6-8,10,12H,5,9H2
InChIKeyBMEKXSIJGNOGIM-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
CID 67904811
2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
CID 87063992
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
1,4-bis(1-phenylprop-2-enyl)piperazine
CID 67460687
3-oxo-2-phenyl-3-piperidin-1-ylpropanal
CID 171369955
2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
CID 105471541
2-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylpiperidin-1-yl]-2-phenylacetaldehyde
CID 87392747
CID 142097895
CID 142097895
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743
1-(1-phenylprop-2-enyl)piperidine
CID 10932509
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
3-oxo-2-phenylpropanoate
CID 18187381

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde (CID 174678253) is 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde is O=CC(c1ccccc1)N1C=CCC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde?
The InChIKey is BMEKXSIJGNOGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-4,6-8,10,12H,5,9H2.
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde?
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde is sourced from PubChem (CID 174678253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).