2-methyl-3-phosphanylideneisoindol-1-one

C9H8NOP — CID 142838766

IUPAC2-methyl-3-phosphanylideneisoindol-1-one
SMILES[H]/P=C1/c2ccccc2C(=O)N1C
InChIInChI=1S/C9H8NOP/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,12H,1H3
InChIKeyUZXODYYADRNYBZ-UHFFFAOYSA-N
MW177.14 g/mol
LogP1.39
Rot. Bonds

About 2-methyl-3-phosphanylideneisoindol-1-one

2-methyl-3-phosphanylideneisoindol-1-one (PubChem CID 142838766) has the molecular formula C9H8NOP and a molecular weight of 177.14 g/mol. Its IUPAC name is 2-methyl-3-phosphanylideneisoindol-1-one.

Molecular Properties

Compound Name2-methyl-3-phosphanylideneisoindol-1-one
PubChem CID142838766
Molecular FormulaC9H8NOP
Molecular Weight177.14 g/mol
Exact Mass177.03
IUPAC Name2-methyl-3-phosphanylideneisoindol-1-one
SMILES[H]/P=C1/c2ccccc2C(=O)N1C
InChIInChI=1S/C9H8NOP/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,12H,1H3
InChIKeyUZXODYYADRNYBZ-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylisoindole-1,3-dione;pyridine
CID 174877202
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
2-methylisoindole-1,3-dione;piperidine
CID 153376535
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
hydron;2-propylisoindole-1,3-dione
CID 174827386
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758
2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene
CID 156647105
2-[2-(methylaminosulfanyl)ethyl]isoindole-1,3-dione
CID 146639828
2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
CID 10852650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phosphanylideneisoindol-1-one?
The IUPAC name of 2-methyl-3-phosphanylideneisoindol-1-one (CID 142838766) is 2-methyl-3-phosphanylideneisoindol-1-one.
What is the SMILES notation for 2-methyl-3-phosphanylideneisoindol-1-one?
The canonical SMILES for 2-methyl-3-phosphanylideneisoindol-1-one is [H]/P=C1/c2ccccc2C(=O)N1C.
What is the InChIKey of 2-methyl-3-phosphanylideneisoindol-1-one?
The InChIKey is UZXODYYADRNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NOP/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,12H,1H3.
What are the key properties of 2-methyl-3-phosphanylideneisoindol-1-one?
2-methyl-3-phosphanylideneisoindol-1-one has a molecular weight of 177.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phosphanylideneisoindol-1-one is sourced from PubChem (CID 142838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).