ethyl(2H-pyran-4-yl)carbamic acid

C8H11NO3 — CID 67466369

IUPACethyl(2H-pyran-4-yl)carbamic acid
SMILESCCN(C(=O)O)C1=CCOC=C1
InChIInChI=1S/C8H11NO3/c1-2-9(8(10)11)7-3-5-12-6-4-7/h3-5H,2,6H2,1H3,(H,10,11)
InChIKeyGVMMAFDBUFVBMV-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.41
Rot. Bonds2

About ethyl(2H-pyran-4-yl)carbamic acid

ethyl(2H-pyran-4-yl)carbamic acid (PubChem CID 67466369) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl(2H-pyran-4-yl)carbamic acid.

Molecular Properties

Compound Nameethyl(2H-pyran-4-yl)carbamic acid
PubChem CID67466369
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl(2H-pyran-4-yl)carbamic acid
SMILESCCN(C(=O)O)C1=CCOC=C1
InChIInChI=1S/C8H11NO3/c1-2-9(8(10)11)7-3-5-12-6-4-7/h3-5H,2,6H2,1H3,(H,10,11)
InChIKeyGVMMAFDBUFVBMV-UHFFFAOYSA-N
XLogP1.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl(2H-pyran-4-yl)carbamic acid?
The IUPAC name of ethyl(2H-pyran-4-yl)carbamic acid (CID 67466369) is ethyl(2H-pyran-4-yl)carbamic acid.
What is the SMILES notation for ethyl(2H-pyran-4-yl)carbamic acid?
The canonical SMILES for ethyl(2H-pyran-4-yl)carbamic acid is CCN(C(=O)O)C1=CCOC=C1.
What is the InChIKey of ethyl(2H-pyran-4-yl)carbamic acid?
The InChIKey is GVMMAFDBUFVBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-9(8(10)11)7-3-5-12-6-4-7/h3-5H,2,6H2,1H3,(H,10,11).
What are the key properties of ethyl(2H-pyran-4-yl)carbamic acid?
ethyl(2H-pyran-4-yl)carbamic acid has a molecular weight of 169.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2H-pyran-4-yl)carbamic acid is sourced from PubChem (CID 67466369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).