(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate

C14H11NO5 — CID 170648795

IUPAC(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H11NO5/c1-15(2)14(17)20-13-8-3-4-12(16)19-11(8)7-10-9(13)5-6-18-10/h3-7H,1-2H3
InChIKeyMKZBYYHLZJYMPS-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.60
Rot. Bonds1

About (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate

(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate (PubChem CID 170648795) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
PubChem CID170648795
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H11NO5/c1-15(2)14(17)20-13-8-3-4-12(16)19-11(8)7-10-9(13)5-6-18-10/h3-7H,1-2H3
InChIKeyMKZBYYHLZJYMPS-UHFFFAOYSA-N
XLogP2.60
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.60
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-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate
CID 170648815
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
CID 11588292
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098
diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
CID 11659029
[(6S)-2,2,6-trimethyl-5-oxo-6-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]pyran-3-yl] acetate
CID 163060127
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 3-methylbut-2-enoate
CID 163077063

Frequently Asked Questions

What is the IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate?
The IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate (CID 170648795) is (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate?
The canonical SMILES for (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate?
The InChIKey is MKZBYYHLZJYMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-15(2)14(17)20-13-8-3-4-12(16)19-11(8)7-10-9(13)5-6-18-10/h3-7H,1-2H3.
What are the key properties of (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate?
(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate has a molecular weight of 273.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 170648795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).