7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one

C19H20N2O3 — CID 94819631

IUPAC7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one
SMILESCc1c(O)ccc2c(CN3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc12
InChIInChI=1S/C19H20N2O3/c1-12-17(22)7-6-14-13(10-18(23)24-19(12)14)11-21-9-3-5-16(21)15-4-2-8-20-15/h2,4,6-8,10,16,20,22H,3,5,9,11H2,1H3/t16-/m1/s1
InChIKeyWKVHZWCVUPTXED-MRXNPFEDSA-N
MW324.38 g/mol
LogP3.47
Rot. Bonds3

About 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one

7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one (PubChem CID 94819631) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one
PubChem CID94819631
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one
SMILESCc1c(O)ccc2c(CN3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc12
InChIInChI=1S/C19H20N2O3/c1-12-17(22)7-6-14-13(10-18(23)24-19(12)14)11-21-9-3-5-16(21)15-4-2-8-20-15/h2,4,6-8,10,16,20,22H,3,5,9,11H2,1H3/t16-/m1/s1
InChIKeyWKVHZWCVUPTXED-MRXNPFEDSA-N
XLogP3.47
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 34930198
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-hydroxy-8-methylchromen-2-one
CID 11940440
4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one
CID 31270944
4-[[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one
CID 55864539
2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
methyl 2-methyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 78900937
(4-hydroxycyclohexyl)-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
CID 9265670
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one
CID 6215321
1-[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]piperidine-4-carboxylate
CID 7093583
7-hydroxy-8-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
CID 7198646

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one (CID 94819631) is 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one is Cc1c(O)ccc2c(CN3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one?
The InChIKey is WKVHZWCVUPTXED-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-17(22)7-6-14-13(10-18(23)24-19(12)14)11-21-9-3-5-16(21)15-4-2-8-20-15/h2,4,6-8,10,16,20,22H,3,5,9,11H2,1H3/t16-/m1/s1.
What are the key properties of 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one?
7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 94819631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).