molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one

C11H13NO — CID 145209538

IUPACmolecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2ccccc2C12CCC2.[H][H]
InChIInChI=1S/C11H11NO.H2/c13-10-11(6-3-7-11)8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,12,13);1H
InChIKeyNSVOQTAFBPHHID-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.31
Rot. Bonds

About molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one

molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 145209538) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Namemolecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID145209538
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namemolecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2ccccc2C12CCC2.[H][H]
InChIInChI=1S/C11H11NO.H2/c13-10-11(6-3-7-11)8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,12,13);1H
InChIKeyNSVOQTAFBPHHID-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 175909573
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134791223
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 145209538) is molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one is O=C1Nc2ccccc2C12CCC2.[H][H].
What is the InChIKey of molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is NSVOQTAFBPHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.H2/c13-10-11(6-3-7-11)8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,12,13);1H.
What are the key properties of molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one?
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 145209538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).