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

C14H18N2O — CID 104694678

IUPAC1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NC1CCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O/c17-14(15-12-6-3-7-12)16-13-8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12-13H,3,6-9H2,(H2,15,16,17)
InChIKeyIKJSCXPKMSZSAA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.01
Rot. Bonds2

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

1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 104694678) 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-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
PubChem CID104694678
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NC1CCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O/c17-14(15-12-6-3-7-12)16-13-8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12-13H,3,6-9H2,(H2,15,16,17)
InChIKeyIKJSCXPKMSZSAA-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
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CID 115617814
CID 153368411
CID 153368411
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CID 17217147
1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101252
1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 75522874
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
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(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea (CID 104694678) is 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea is O=C(NC1CCC1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is IKJSCXPKMSZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-12-6-3-7-12)16-13-8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12-13H,3,6-9H2,(H2,15,16,17).
What are the key properties of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea?
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 230.31 g/mol, XLogP of 2.01, 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-2-yl)urea is sourced from PubChem (CID 104694678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).