pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde

C20H19NO6 — CID 174605613

IUPACpyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
SMILESC1CCNC1.O=Cc1c(O)cc2oc(-c3ccccc3)c(O)c(=O)c2c1O
InChIInChI=1S/C16H10O6.C4H9N/c17-7-9-10(18)6-11-12(13(9)19)14(20)15(21)16(22-11)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7,18-19,21H;5H,1-4H2
InChIKeyWLYTXXQEHBKLFV-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.76
Rot. Bonds2

About pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde

pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde (PubChem CID 174605613) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde.

Molecular Properties

Compound Namepyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
PubChem CID174605613
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namepyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
SMILESC1CCNC1.O=Cc1c(O)cc2oc(-c3ccccc3)c(O)c(=O)c2c1O
InChIInChI=1S/C16H10O6.C4H9N/c17-7-9-10(18)6-11-12(13(9)19)14(20)15(21)16(22-11)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7,18-19,21H;5H,1-4H2
InChIKeyWLYTXXQEHBKLFV-UHFFFAOYSA-N
XLogP2.76
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
CID 19427220
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267

Frequently Asked Questions

What is the IUPAC name of pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The IUPAC name of pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde (CID 174605613) is pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde.
What is the SMILES notation for pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The canonical SMILES for pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde is C1CCNC1.O=Cc1c(O)cc2oc(-c3ccccc3)c(O)c(=O)c2c1O.
What is the InChIKey of pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The InChIKey is WLYTXXQEHBKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6.C4H9N/c17-7-9-10(18)6-11-12(13(9)19)14(20)15(21)16(22-11)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7,18-19,21H;5H,1-4H2.
What are the key properties of pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde has a molecular weight of 369.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde is sourced from PubChem (CID 174605613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).