7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one

C23H23NO4 — CID 24627943

IUPAC7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCCC3Cc3ccccc3)ccc12
InChIInChI=1S/C23H23NO4/c1-16-12-23(26)28-21-14-19(9-10-20(16)21)27-15-22(25)24-11-5-8-18(24)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14,18H,5,8,11,13,15H2,1H3
InChIKeyXQDLNWUOULHRTC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.71
Rot. Bonds5

About 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one

7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one (PubChem CID 24627943) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
PubChem CID24627943
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCCC3Cc3ccccc3)ccc12
InChIInChI=1S/C23H23NO4/c1-16-12-23(26)28-21-14-19(9-10-20(16)21)27-15-22(25)24-11-5-8-18(24)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14,18H,5,8,11,13,15H2,1H3
InChIKeyXQDLNWUOULHRTC-UHFFFAOYSA-N
XLogP3.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 26817511
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9491852
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
CID 134816331
(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide
CID 39377528
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 9020059
3-(2-bromophenoxy)-7-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methylchromen-4-one
CID 71710509
7-[[(1R)-6,7-dimethoxy-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one
CID 2158213
(2-hydroxyimino-2-phenylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3132124
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one (CID 24627943) is 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3CCCC3Cc3ccccc3)ccc12.
What is the InChIKey of 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The InChIKey is XQDLNWUOULHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-12-23(26)28-21-14-19(9-10-20(16)21)27-15-22(25)24-11-5-8-18(24)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14,18H,5,8,11,13,15H2,1H3.
What are the key properties of 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 24627943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).