(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate

C20H23NO5 — CID 175795319

IUPAC(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate
SMILESCC1(C)Oc2cc3oc(=O)ccc3cc2CC1OC(=O)NC1CCCC1
InChIInChI=1S/C20H23NO5/c1-20(2)17(25-19(23)21-14-5-3-4-6-14)10-13-9-12-7-8-18(22)24-15(12)11-16(13)26-20/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,21,23)
InChIKeyJWNFWIWPOYKOSQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.54
Rot. Bonds2

About (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate

(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate (PubChem CID 175795319) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate.

Molecular Properties

Compound Name(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate
PubChem CID175795319
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate
SMILESCC1(C)Oc2cc3oc(=O)ccc3cc2CC1OC(=O)NC1CCCC1
InChIInChI=1S/C20H23NO5/c1-20(2)17(25-19(23)21-14-5-3-4-6-14)10-13-9-12-7-8-18(22)24-15(12)11-16(13)26-20/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,21,23)
InChIKeyJWNFWIWPOYKOSQ-UHFFFAOYSA-N
XLogP3.54
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate?
The IUPAC name of (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate (CID 175795319) is (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate.
What is the SMILES notation for (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate?
The canonical SMILES for (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate is CC1(C)Oc2cc3oc(=O)ccc3cc2CC1OC(=O)NC1CCCC1.
What is the InChIKey of (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate?
The InChIKey is JWNFWIWPOYKOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-20(2)17(25-19(23)21-14-5-3-4-6-14)10-13-9-12-7-8-18(22)24-15(12)11-16(13)26-20/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,21,23).
What are the key properties of (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate?
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate has a molecular weight of 357.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) N-cyclopentylcarbamate is sourced from PubChem (CID 175795319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).