(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel

C10H11NiO- — CID 177486756

IUPAC(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
SMILES[CH2-][C@H]1Cc2ccccc2[C@H]1O.[Ni]
InChIInChI=1S/C10H11O.Ni/c1-7-6-8-4-2-3-5-9(8)10(7)11;/h2-5,7,10-11H,1,6H2;/q-1;/t7-,10-;/m0./s1
InChIKeyMVYZLIZEEDOISL-YUWZRIFDSA-N
MW205.89 g/mol
LogP1.72
Rot. Bonds

About (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel

(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel (PubChem CID 177486756) has the molecular formula C10H11NiO- and a molecular weight of 205.89 g/mol. Its IUPAC name is (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel.

Molecular Properties

Compound Name(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
PubChem CID177486756
Molecular FormulaC10H11NiO-
Molecular Weight205.89 g/mol
Exact Mass205.02
IUPAC Name(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
SMILES[CH2-][C@H]1Cc2ccccc2[C@H]1O.[Ni]
InChIInChI=1S/C10H11O.Ni/c1-7-6-8-4-2-3-5-9(8)10(7)11;/h2-5,7,10-11H,1,6H2;/q-1;/t7-,10-;/m0./s1
InChIKeyMVYZLIZEEDOISL-YUWZRIFDSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.89
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
CID 23239621
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
CID 87918176
CID 87918176
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2,3-dihydroinden-1-ol
CID 57183104
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel?
The IUPAC name of (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel (CID 177486756) is (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel.
What is the SMILES notation for (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel?
The canonical SMILES for (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel is [CH2-][C@H]1Cc2ccccc2[C@H]1O.[Ni].
What is the InChIKey of (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel?
The InChIKey is MVYZLIZEEDOISL-YUWZRIFDSA-N. The full InChI is InChI=1S/C10H11O.Ni/c1-7-6-8-4-2-3-5-9(8)10(7)11;/h2-5,7,10-11H,1,6H2;/q-1;/t7-,10-;/m0./s1.
What are the key properties of (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel?
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel has a molecular weight of 205.89 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel is sourced from PubChem (CID 177486756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).