1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea

C10H16N2O2 — CID 56765625

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C10H16N2O2/c1-4-11-10(13)12-6-9-5-7(2)14-8(9)3/h5H,4,6H2,1-3H3,(H2,11,12,13)
InChIKeyMIJHTZFAPORYKP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds3

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea (PubChem CID 56765625) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea
PubChem CID56765625
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C10H16N2O2/c1-4-11-10(13)12-6-9-5-7(2)14-8(9)3/h5H,4,6H2,1-3H3,(H2,11,12,13)
InChIKeyMIJHTZFAPORYKP-UHFFFAOYSA-N
XLogP1.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea (CID 56765625) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea is CCNC(=O)NCc1cc(C)oc1C.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea?
The InChIKey is MIJHTZFAPORYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-11-10(13)12-6-9-5-7(2)14-8(9)3/h5H,4,6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea has a molecular weight of 196.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylurea is sourced from PubChem (CID 56765625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).