3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid

C7H11NO3 — CID 138697147

IUPAC3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid
SMILESO=C(O)NCC1CCC=CO1
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-6-3-1-2-4-11-6/h2,4,6,8H,1,3,5H2,(H,9,10)
InChIKeyQGLUZCCJVDEIKR-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.95
Rot. Bonds2

About 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid

3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid (PubChem CID 138697147) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid
PubChem CID138697147
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid
SMILESO=C(O)NCC1CCC=CO1
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-6-3-1-2-4-11-6/h2,4,6,8H,1,3,5H2,(H,9,10)
InChIKeyQGLUZCCJVDEIKR-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid?
The IUPAC name of 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid (CID 138697147) is 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid.
What is the SMILES notation for 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid?
The canonical SMILES for 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid is O=C(O)NCC1CCC=CO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid?
The InChIKey is QGLUZCCJVDEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)8-5-6-3-1-2-4-11-6/h2,4,6,8H,1,3,5H2,(H,9,10).
What are the key properties of 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid?
3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-2-ylmethylcarbamic acid is sourced from PubChem (CID 138697147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).