1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde

C18H17NO3 — CID 146357901

IUPAC1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C18H17NO3/c20-12-16-5-2-10-19(16)18(22)15-4-1-3-14(11-15)13-6-8-17(21)9-7-13/h1,3-4,6-9,11-12,16,21H,2,5,10H2
InChIKeyWEOGMSJGVXNTFD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.86
Rot. Bonds3

About 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde

1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde (PubChem CID 146357901) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
PubChem CID146357901
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C18H17NO3/c20-12-16-5-2-10-19(16)18(22)15-4-1-3-14(11-15)13-6-8-17(21)9-7-13/h1,3-4,6-9,11-12,16,21H,2,5,10H2
InChIKeyWEOGMSJGVXNTFD-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 155500535
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56722117
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260869
N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
CID 126430068
(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone
CID 110739817
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde (CID 146357901) is 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde is O=CC1CCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde?
The InChIKey is WEOGMSJGVXNTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-12-16-5-2-10-19(16)18(22)15-4-1-3-14(11-15)13-6-8-17(21)9-7-13/h1,3-4,6-9,11-12,16,21H,2,5,10H2.
What are the key properties of 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde?
1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 146357901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).