[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate

C8H11NO5 — CID 173422015

IUPAC[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccoc1C(O)O
InChIInChI=1S/C8H11NO5/c1-9-8(12)14-4-5-2-3-13-6(5)7(10)11/h2-3,7,10-11H,4H2,1H3,(H,9,12)
InChIKeyASQODPVTZPDNIG-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.12
Rot. Bonds3

About [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate

[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate (PubChem CID 173422015) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate
PubChem CID173422015
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccoc1C(O)O
InChIInChI=1S/C8H11NO5/c1-9-8(12)14-4-5-2-3-13-6(5)7(10)11/h2-3,7,10-11H,4H2,1H3,(H,9,12)
InChIKeyASQODPVTZPDNIG-UHFFFAOYSA-N
XLogP0.12
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

furan-3-ylmethyl N-methylcarbamate
CID 57025329
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
methyl 2-(2-aminofuran-3-yl)acetate
CID 57017182
(2-methylfuran-3-yl)methyl acetate
CID 71480019
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
(2-ethenylfuran-3-yl)methyl acetate
CID 174677957
hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
CID 664418
[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
CID 142022851
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760

Frequently Asked Questions

What is the IUPAC name of [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate?
The IUPAC name of [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate (CID 173422015) is [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1ccoc1C(O)O.
What is the InChIKey of [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate?
The InChIKey is ASQODPVTZPDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-9-8(12)14-4-5-2-3-13-6(5)7(10)11/h2-3,7,10-11H,4H2,1H3,(H,9,12).
What are the key properties of [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate?
[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate has a molecular weight of 201.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 173422015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).