1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one

C13H17N2OP — CID 59352034

IUPAC1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)N(P)c1ccccc12
InChIInChI=1S/C13H17N2OP/c1-14-8-6-13(7-9-14)10-4-2-3-5-11(10)15(17)12(13)16/h2-5H,6-9,17H2,1H3
InChIKeyWZPLWSFHQZEESR-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.79
Rot. Bonds

About 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one

1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 59352034) has the molecular formula C13H17N2OP and a molecular weight of 248.27 g/mol. Its IUPAC name is 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
PubChem CID59352034
Molecular FormulaC13H17N2OP
Molecular Weight248.27 g/mol
Exact Mass248.11
IUPAC Name1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)N(P)c1ccccc12
InChIInChI=1S/C13H17N2OP/c1-14-8-6-13(7-9-14)10-4-2-3-5-11(10)15(17)12(13)16/h2-5H,6-9,17H2,1H3
InChIKeyWZPLWSFHQZEESR-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
1-Phenyloxindole
CID 314787
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
4,4,6-Trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
CID 623982
Cyclohexyl(2,3-dihydroindol-1-yl)methanone
CID 701901
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
Amedalin
CID 31075
1-[(E)-6-(3,4-dihydro-1H-isoquinolin-2-yl)hex-3-enyl]-3H-indol-2-one
CID 102364516

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one (CID 59352034) is 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one is CN1CCC2(CC1)C(=O)N(P)c1ccccc12.
What is the InChIKey of 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WZPLWSFHQZEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2OP/c1-14-8-6-13(7-9-14)10-4-2-3-5-11(10)15(17)12(13)16/h2-5H,6-9,17H2,1H3.
What are the key properties of 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one?
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 248.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).