1'-methylspiro[1H-indene-3,3'-azetidine]-2-one

C12H13NO — CID 170719350

IUPAC1'-methylspiro[1H-indene-3,3'-azetidine]-2-one
SMILESCN1CC2(C1)C(=O)Cc1ccccc12
InChIInChI=1S/C12H13NO/c1-13-7-12(8-13)10-5-3-2-4-9(10)6-11(12)14/h2-5H,6-8H2,1H3
InChIKeyLANFMENVICUNSY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.00
Rot. Bonds

About 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one

1'-methylspiro[1H-indene-3,3'-azetidine]-2-one (PubChem CID 170719350) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1H-indene-3,3'-azetidine]-2-one
PubChem CID170719350
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1'-methylspiro[1H-indene-3,3'-azetidine]-2-one
SMILESCN1CC2(C1)C(=O)Cc1ccccc12
InChIInChI=1S/C12H13NO/c1-13-7-12(8-13)10-5-3-2-4-9(10)6-11(12)14/h2-5H,6-8H2,1H3
InChIKeyLANFMENVICUNSY-UHFFFAOYSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone
CID 90873520
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
CID 177033709
1-ethyl-2-oxo-3H-indene-1-carboxylic acid
CID 18448916
5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione
CID 22961000
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
3,3-bis[2,2-bis(diethoxyphosphoryl)ethyl]-1H-inden-2-one
CID 56934533
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
CID 58529230

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one?
The IUPAC name of 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one (CID 170719350) is 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one.
What is the SMILES notation for 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one?
The canonical SMILES for 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one is CN1CC2(C1)C(=O)Cc1ccccc12.
What is the InChIKey of 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one?
The InChIKey is LANFMENVICUNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13-7-12(8-13)10-5-3-2-4-9(10)6-11(12)14/h2-5H,6-8H2,1H3.
What are the key properties of 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one?
1'-methylspiro[1H-indene-3,3'-azetidine]-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1H-indene-3,3'-azetidine]-2-one is sourced from PubChem (CID 170719350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).