spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol

C10H11NO — CID 115012660

IUPACspiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
SMILESOc1cccc2c1C1(CC1)NC2
InChIInChI=1S/C10H11NO/c12-8-3-1-2-7-6-11-10(4-5-10)9(7)8/h1-3,11-12H,4-6H2
InChIKeyNPIOXGIRSQBIQN-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.48
Rot. Bonds

About spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol

spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol (PubChem CID 115012660) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Namespiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
PubChem CID115012660
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Namespiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
SMILESOc1cccc2c1C1(CC1)NC2
InChIInChI=1S/C10H11NO/c12-8-3-1-2-7-6-11-10(4-5-10)9(7)8/h1-3,11-12H,4-6H2
InChIKeyNPIOXGIRSQBIQN-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
1-methyl-2,3-dihydroindene-1,7-diol
CID 175232410
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 115042448
3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250
5-fluorospiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012818
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
CID 115057224
2-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104102
8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010908
7-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012488
2,3-dihydro-1,2-benzoxazol-7-ol
CID 58782319

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol?
The IUPAC name of spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol (CID 115012660) is spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol.
What is the SMILES notation for spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol?
The canonical SMILES for spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol is Oc1cccc2c1C1(CC1)NC2.
What is the InChIKey of spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol?
The InChIKey is NPIOXGIRSQBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-8-3-1-2-7-6-11-10(4-5-10)9(7)8/h1-3,11-12H,4-6H2.
What are the key properties of spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol?
spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol has a molecular weight of 161.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol is sourced from PubChem (CID 115012660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).