1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea

C13H24N2O — CID 108911914

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)7-9-14-13(16)15-10-8-12-5-3-4-6-12/h8,10-12H,3-7,9H2,1-2H3,(H2,14,15,16)/b10-8+
InChIKeyZGSUKABZCDJOGS-CSKARUKUSA-N
MW224.35 g/mol
LogP3.04
Rot. Bonds5

About 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea

1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea (PubChem CID 108911914) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea
PubChem CID108911914
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)7-9-14-13(16)15-10-8-12-5-3-4-6-12/h8,10-12H,3-7,9H2,1-2H3,(H2,14,15,16)/b10-8+
InChIKeyZGSUKABZCDJOGS-CSKARUKUSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea (CID 108911914) is 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea?
The InChIKey is ZGSUKABZCDJOGS-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)7-9-14-13(16)15-10-8-12-5-3-4-6-12/h8,10-12H,3-7,9H2,1-2H3,(H2,14,15,16)/b10-8+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea has a molecular weight of 224.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 108911914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).