1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea

C18H24N2O — CID 166229686

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCC2(CC1)CC2
InChIInChI=1S/C18H24N2O/c21-17(19-15-6-8-18(9-7-15)10-11-18)20-16-5-4-13-2-1-3-14(13)12-16/h4-5,12,15H,1-3,6-11H2,(H2,19,20,21)
InChIKeyWUIVZYPILHEIFM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.02
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea

1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea (PubChem CID 166229686) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
PubChem CID166229686
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCC2(CC1)CC2
InChIInChI=1S/C18H24N2O/c21-17(19-15-6-8-18(9-7-15)10-11-18)20-16-5-4-13-2-1-3-14(13)12-16/h4-5,12,15H,1-3,6-11H2,(H2,19,20,21)
InChIKeyWUIVZYPILHEIFM-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 166231963
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 97347739
1-[4-fluoro-3-(methylamino)phenyl]-3-spiro[5.5]undecan-3-ylurea
CID 155742466
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea (CID 166229686) is 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea is O=C(Nc1ccc2c(c1)CCC2)NC1CCC2(CC1)CC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea?
The InChIKey is WUIVZYPILHEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-17(19-15-6-8-18(9-7-15)10-11-18)20-16-5-4-13-2-1-3-14(13)12-16/h4-5,12,15H,1-3,6-11H2,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea?
1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea has a molecular weight of 284.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea is sourced from PubChem (CID 166229686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).