1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol

C12H14BrNO — CID 107682656

IUPAC1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC=C(Br)CNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H14BrNO/c1-8(13)7-14-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6,12,14-15H,1-2,5,7H2
InChIKeyDJNKEILZVJLBRX-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol

1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682656) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682656
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC=C(Br)CNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H14BrNO/c1-8(13)7-14-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6,12,14-15H,1-2,5,7H2
InChIKeyDJNKEILZVJLBRX-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 107808804
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,2-dimethylpropanenitrile
CID 107682691
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
1-[(4-hydroxycyclohexyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682715
N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115891128
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682656) is 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol is C=C(Br)CNC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is DJNKEILZVJLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(13)7-14-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6,12,14-15H,1-2,5,7H2.
What are the key properties of 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 268.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).