7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one

C17H19NO5 — CID 171907125

IUPAC7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCCOC1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1
InChIInChI=1S/C17H19NO5/c1-2-21-14-7-8-18(10-14)16(19)11-22-13-5-3-12-4-6-17(20)23-15(12)9-13/h3-6,9,14H,2,7-8,10-11H2,1H3
InChIKeyNVVYCDQKDVTVEP-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.81
Rot. Bonds5

About 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one

7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 171907125) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID171907125
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCCOC1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1
InChIInChI=1S/C17H19NO5/c1-2-21-14-7-8-18(10-14)16(19)11-22-13-5-3-12-4-6-17(20)23-15(12)9-13/h3-6,9,14H,2,7-8,10-11H2,1H3
InChIKeyNVVYCDQKDVTVEP-UHFFFAOYSA-N
XLogP1.81
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
CID 120994735
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
7-[2-oxo-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethoxy]chromen-2-one
CID 171909704
methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
CID 171911145
7-[2-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387457
7-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55866745
7-[2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171386925
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 27840479
7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 16504594

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one (CID 171907125) is 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one is CCOC1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1.
What is the InChIKey of 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is NVVYCDQKDVTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-21-14-7-8-18(10-14)16(19)11-22-13-5-3-12-4-6-17(20)23-15(12)9-13/h3-6,9,14H,2,7-8,10-11H2,1H3.
What are the key properties of 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one?
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 317.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 171907125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).