1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole

C12H16NOP — CID 59441561

IUPAC1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole
SMILESC=C1Cc2ccccc2N1CP(C)(C)=O
InChIInChI=1S/C12H16NOP/c1-10-8-11-6-4-5-7-12(11)13(10)9-15(2,3)14/h4-7H,1,8-9H2,2-3H3
InChIKeyOICRKWFHXYCYHW-UHFFFAOYSA-N
MW221.24 g/mol
LogP3.14
Rot. Bonds2

About 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole

1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole (PubChem CID 59441561) has the molecular formula C12H16NOP and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole.

Molecular Properties

Compound Name1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole
PubChem CID59441561
Molecular FormulaC12H16NOP
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole
SMILESC=C1Cc2ccccc2N1CP(C)(C)=O
InChIInChI=1S/C12H16NOP/c1-10-8-11-6-4-5-7-12(11)13(10)9-15(2,3)14/h4-7H,1,8-9H2,2-3H3
InChIKeyOICRKWFHXYCYHW-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 53.14
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

(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne
CID 143222920
10-propyl-9H-acridine
CID 71122947
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
9H-acridin-10-ylmethanol
CID 23521289
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine
CID 18721017
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium
CID 159503562

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole?
The IUPAC name of 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole (CID 59441561) is 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole.
What is the SMILES notation for 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole?
The canonical SMILES for 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole is C=C1Cc2ccccc2N1CP(C)(C)=O.
What is the InChIKey of 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole?
The InChIKey is OICRKWFHXYCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NOP/c1-10-8-11-6-4-5-7-12(11)13(10)9-15(2,3)14/h4-7H,1,8-9H2,2-3H3.
What are the key properties of 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole?
1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole has a molecular weight of 221.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole is sourced from PubChem (CID 59441561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).