methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate

C8H13NO3 — CID 130742033

IUPACmethyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H13NO3/c1-11-8(10)9-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H,9,10)
InChIKeyAVRIBZPJQUPUEO-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.04
Rot. Bonds2

About methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate

methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate (PubChem CID 130742033) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate
PubChem CID130742033
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H13NO3/c1-11-8(10)9-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H,9,10)
InChIKeyAVRIBZPJQUPUEO-UHFFFAOYSA-N
XLogP1.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate?
The IUPAC name of methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate (CID 130742033) is methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate is COC(=O)NCC1CCC=CO1.
What is the InChIKey of methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate?
The InChIKey is AVRIBZPJQUPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-8(10)9-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H,9,10).
What are the key properties of methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate?
methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate has a molecular weight of 171.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,4-dihydro-2H-pyran-2-ylmethyl)carbamate is sourced from PubChem (CID 130742033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).