3,4-dihydro-2H-chromen-8-yl N-methylcarbamate

C11H13NO3 — CID 27702

IUPAC3,4-dihydro-2H-chromen-8-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OCCC2
InChIInChI=1S/C11H13NO3/c1-12-11(13)15-9-6-2-4-8-5-3-7-14-10(8)9/h2,4,6H,3,5,7H2,1H3,(H,12,13)
InChIKeyPMBSJQIGLMSEKN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.73
Rot. Bonds1

About 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate

3,4-dihydro-2H-chromen-8-yl N-methylcarbamate (PubChem CID 27702) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl N-methylcarbamate
PubChem CID27702
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3,4-dihydro-2H-chromen-8-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OCCC2
InChIInChI=1S/C11H13NO3/c1-12-11(13)15-9-6-2-4-8-5-3-7-14-10(8)9/h2,4,6H,3,5,7H2,1H3,(H,12,13)
InChIKeyPMBSJQIGLMSEKN-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate (CID 27702) is 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate is CNC(=O)Oc1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate?
The InChIKey is PMBSJQIGLMSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-11(13)15-9-6-2-4-8-5-3-7-14-10(8)9/h2,4,6H,3,5,7H2,1H3,(H,12,13).
What are the key properties of 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate?
3,4-dihydro-2H-chromen-8-yl N-methylcarbamate has a molecular weight of 207.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl N-methylcarbamate is sourced from PubChem (CID 27702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).