(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal

C15H17NO — CID 143638842

IUPAC(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal
SMILESO=C/C=C/C=C/c1ccccc1N1CCCC1
InChIInChI=1S/C15H17NO/c17-13-7-1-2-8-14-9-3-4-10-15(14)16-11-5-6-12-16/h1-4,7-10,13H,5-6,11-12H2/b7-1+,8-2+
InChIKeyMLJQETHQAXEFSW-FACPPWRESA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds4

About (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal

(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal (PubChem CID 143638842) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal
PubChem CID143638842
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal
SMILESO=C/C=C/C=C/c1ccccc1N1CCCC1
InChIInChI=1S/C15H17NO/c17-13-7-1-2-8-14-9-3-4-10-15(14)16-11-5-6-12-16/h1-4,7-10,13H,5-6,11-12H2/b7-1+,8-2+
InChIKeyMLJQETHQAXEFSW-FACPPWRESA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-(azocan-1-yl)phenyl]prop-2-enoic acid
CID 29019087
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
CID 169479575
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
CID 169472848
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]benzaldehyde
CID 87381804
4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal?
The IUPAC name of (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal (CID 143638842) is (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal is O=C/C=C/C=C/c1ccccc1N1CCCC1.
What is the InChIKey of (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal?
The InChIKey is MLJQETHQAXEFSW-FACPPWRESA-N. The full InChI is InChI=1S/C15H17NO/c17-13-7-1-2-8-14-9-3-4-10-15(14)16-11-5-6-12-16/h1-4,7-10,13H,5-6,11-12H2/b7-1+,8-2+.
What are the key properties of (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal?
(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal has a molecular weight of 227.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal is sourced from PubChem (CID 143638842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).