spiro[5.5]undecan-3-ylurea

C12H22N2O — CID 91662332

IUPACspiro[5.5]undecan-3-ylurea
SMILESNC(=O)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c13-11(15)14-10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H3,13,14,15)
InChIKeyRHVOAFUJERVUKL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.55
Rot. Bonds1

About spiro[5.5]undecan-3-ylurea

spiro[5.5]undecan-3-ylurea (PubChem CID 91662332) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is spiro[5.5]undecan-3-ylurea.

Molecular Properties

Compound Namespiro[5.5]undecan-3-ylurea
PubChem CID91662332
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namespiro[5.5]undecan-3-ylurea
SMILESNC(=O)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c13-11(15)14-10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H3,13,14,15)
InChIKeyRHVOAFUJERVUKL-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze spiro[5.5]undecan-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylurea;methanamine
CID 142108304
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
cyclobutylurea;ethane
CID 145319429
3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide
CID 167940683
(4-chlorocyclohexyl)urea
CID 86732946
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
spiro[3.5]nonane-7-carboxamide
CID 90020117
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
CID 128713974
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856

Frequently Asked Questions

What is the IUPAC name of spiro[5.5]undecan-3-ylurea?
The IUPAC name of spiro[5.5]undecan-3-ylurea (CID 91662332) is spiro[5.5]undecan-3-ylurea.
What is the SMILES notation for spiro[5.5]undecan-3-ylurea?
The canonical SMILES for spiro[5.5]undecan-3-ylurea is NC(=O)NC1CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undecan-3-ylurea?
The InChIKey is RHVOAFUJERVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-11(15)14-10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H3,13,14,15).
What are the key properties of spiro[5.5]undecan-3-ylurea?
spiro[5.5]undecan-3-ylurea has a molecular weight of 210.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecan-3-ylurea is sourced from PubChem (CID 91662332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).