1-benzyl-3-spiro[2.4]heptan-2-ylurea

C15H20N2O — CID 131137817

IUPAC1-benzyl-3-spiro[2.4]heptan-2-ylurea
SMILESO=C(NCc1ccccc1)NC1CC12CCCC2
InChIInChI=1S/C15H20N2O/c18-14(16-11-12-6-2-1-3-7-12)17-13-10-15(13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H2,16,17,18)
InChIKeyXZDVIWHFJAKKSR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds3

About 1-benzyl-3-spiro[2.4]heptan-2-ylurea

1-benzyl-3-spiro[2.4]heptan-2-ylurea (PubChem CID 131137817) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-benzyl-3-spiro[2.4]heptan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-spiro[2.4]heptan-2-ylurea
PubChem CID131137817
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-benzyl-3-spiro[2.4]heptan-2-ylurea
SMILESO=C(NCc1ccccc1)NC1CC12CCCC2
InChIInChI=1S/C15H20N2O/c18-14(16-11-12-6-2-1-3-7-12)17-13-10-15(13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H2,16,17,18)
InChIKeyXZDVIWHFJAKKSR-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2,2-dimethylcyclohexyl)urea
CID 103751631
1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
CID 107653993
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
CID 130899357
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
2-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692338
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
4-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692331
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-spiro[2.4]heptan-2-ylurea?
The IUPAC name of 1-benzyl-3-spiro[2.4]heptan-2-ylurea (CID 131137817) is 1-benzyl-3-spiro[2.4]heptan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-spiro[2.4]heptan-2-ylurea?
The canonical SMILES for 1-benzyl-3-spiro[2.4]heptan-2-ylurea is O=C(NCc1ccccc1)NC1CC12CCCC2.
What is the InChIKey of 1-benzyl-3-spiro[2.4]heptan-2-ylurea?
The InChIKey is XZDVIWHFJAKKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(16-11-12-6-2-1-3-7-12)17-13-10-15(13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H2,16,17,18).
What are the key properties of 1-benzyl-3-spiro[2.4]heptan-2-ylurea?
1-benzyl-3-spiro[2.4]heptan-2-ylurea has a molecular weight of 244.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-spiro[2.4]heptan-2-ylurea is sourced from PubChem (CID 131137817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).