1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea

C14H18N2O — CID 113233184

IUPAC1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NC1CCC1)NC1CCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-14(15-11-5-3-6-11)16-13-9-8-10-4-1-2-7-12(10)13/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,15,16,17)
InChIKeyMEADCKLTSAZASD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds2

About 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 113233184) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID113233184
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NC1CCC1)NC1CCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-14(15-11-5-3-6-11)16-13-9-8-10-4-1-2-7-12(10)13/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,15,16,17)
InChIKeyMEADCKLTSAZASD-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 56800080
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94030270
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 129394390
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
CID 146081380
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47765775

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 113233184) is 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea is O=C(NC1CCC1)NC1CCc2ccccc21.
What is the InChIKey of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is MEADCKLTSAZASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-11-5-3-6-11)16-13-9-8-10-4-1-2-7-12(10)13/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,15,16,17).
What are the key properties of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 230.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 113233184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).