1-(furan-2-yl)-3-(3-methylbutyl)urea

C10H16N2O2 — CID 108868602

IUPAC1-(furan-2-yl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccco1
InChIInChI=1S/C10H16N2O2/c1-8(2)5-6-11-10(13)12-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyZHXHHLGCBNCYJR-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.45
Rot. Bonds4

About 1-(furan-2-yl)-3-(3-methylbutyl)urea

1-(furan-2-yl)-3-(3-methylbutyl)urea (PubChem CID 108868602) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(3-methylbutyl)urea
PubChem CID108868602
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(furan-2-yl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccco1
InChIInChI=1S/C10H16N2O2/c1-8(2)5-6-11-10(13)12-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyZHXHHLGCBNCYJR-UHFFFAOYSA-N
XLogP2.45
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(3-methylbutyl)urea (CID 108868602) is 1-(furan-2-yl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(3-methylbutyl)urea is CC(C)CCNC(=O)Nc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(3-methylbutyl)urea?
The InChIKey is ZHXHHLGCBNCYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)5-6-11-10(13)12-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(furan-2-yl)-3-(3-methylbutyl)urea?
1-(furan-2-yl)-3-(3-methylbutyl)urea has a molecular weight of 196.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 108868602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).