1-butan-2-yl-3-cyclopropylurea

C8H16N2O — CID 45366532

IUPAC1-butan-2-yl-3-cyclopropylurea
SMILESCCC(C)NC(=O)NC1CC1
InChIInChI=1S/C8H16N2O/c1-3-6(2)9-8(11)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyIKWZTUSCUFKPFE-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.25
Rot. Bonds3

About 1-butan-2-yl-3-cyclopropylurea

1-butan-2-yl-3-cyclopropylurea (PubChem CID 45366532) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-butan-2-yl-3-cyclopropylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-cyclopropylurea
PubChem CID45366532
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-butan-2-yl-3-cyclopropylurea
SMILESCCC(C)NC(=O)NC1CC1
InChIInChI=1S/C8H16N2O/c1-3-6(2)9-8(11)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyIKWZTUSCUFKPFE-UHFFFAOYSA-N
XLogP1.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-cyclopropylurea?
The IUPAC name of 1-butan-2-yl-3-cyclopropylurea (CID 45366532) is 1-butan-2-yl-3-cyclopropylurea.
What is the SMILES notation for 1-butan-2-yl-3-cyclopropylurea?
The canonical SMILES for 1-butan-2-yl-3-cyclopropylurea is CCC(C)NC(=O)NC1CC1.
What is the InChIKey of 1-butan-2-yl-3-cyclopropylurea?
The InChIKey is IKWZTUSCUFKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-6(2)9-8(11)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-butan-2-yl-3-cyclopropylurea?
1-butan-2-yl-3-cyclopropylurea has a molecular weight of 156.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-cyclopropylurea is sourced from PubChem (CID 45366532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).