1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea

C9H18N2O — CID 108910543

IUPAC1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea
SMILESCC/C=C/NC(=O)NCC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-10-9(12)11-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+
InChIKeyCJXLYWFSSGSOGY-AATRIKPKSA-N
MW170.26 g/mol
LogP1.87
Rot. Bonds4

About 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea

1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea (PubChem CID 108910543) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea
PubChem CID108910543
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea
SMILESCC/C=C/NC(=O)NCC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-10-9(12)11-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+
InChIKeyCJXLYWFSSGSOGY-AATRIKPKSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea (CID 108910543) is 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea is CC/C=C/NC(=O)NCC(C)C.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea?
The InChIKey is CJXLYWFSSGSOGY-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-10-9(12)11-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+.
What are the key properties of 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea?
1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea has a molecular weight of 170.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 108910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).