1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one

C11H10N2O3 — CID 140882905

IUPAC1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one
SMILESO=C1N([N+](=O)[O-])c2ccccc2C12CCC2
InChIInChI=1S/C11H10N2O3/c14-10-11(6-3-7-11)8-4-1-2-5-9(8)12(10)13(15)16/h1-2,4-5H,3,6-7H2
InChIKeyRBSNDOHUFGCQNK-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.65
Rot. Bonds1

About 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one

1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one (PubChem CID 140882905) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one
PubChem CID140882905
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one
SMILESO=C1N([N+](=O)[O-])c2ccccc2C12CCC2
InChIInChI=1S/C11H10N2O3/c14-10-11(6-3-7-11)8-4-1-2-5-9(8)12(10)13(15)16/h1-2,4-5H,3,6-7H2
InChIKeyRBSNDOHUFGCQNK-UHFFFAOYSA-N
XLogP1.65
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
CID 141172318
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
CID 59909654
CID 59909654
1-nitroquinoline-2,4-dione
CID 172714245
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
CID 54487789
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
CID 164582213
CID 164582213

Frequently Asked Questions

What is the IUPAC name of 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one?
The IUPAC name of 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one (CID 140882905) is 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one is O=C1N([N+](=O)[O-])c2ccccc2C12CCC2.
What is the InChIKey of 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one?
The InChIKey is RBSNDOHUFGCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-11(6-3-7-11)8-4-1-2-5-9(8)12(10)13(15)16/h1-2,4-5H,3,6-7H2.
What are the key properties of 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one?
1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one has a molecular weight of 218.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-nitrospiro[cyclobutane-1,3'-indole]-2'-one is sourced from PubChem (CID 140882905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).