2-amino-2-methyl-3-phosphanylideneinden-1-one

C10H10NOP — CID 90079095

IUPAC2-amino-2-methyl-3-phosphanylideneinden-1-one
SMILES[H]/P=C1\c2ccccc2C(=O)C1(C)N
InChIInChI=1S/C10H10NOP/c1-10(11)8(12)6-4-2-3-5-7(6)9(10)13/h2-5,13H,11H2,1H3
InChIKeyYWGKBNFZXKFHSU-UHFFFAOYSA-N
MW191.17 g/mol
LogP1.26
Rot. Bonds

About 2-amino-2-methyl-3-phosphanylideneinden-1-one

2-amino-2-methyl-3-phosphanylideneinden-1-one (PubChem CID 90079095) has the molecular formula C10H10NOP and a molecular weight of 191.17 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phosphanylideneinden-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-3-phosphanylideneinden-1-one
PubChem CID90079095
Molecular FormulaC10H10NOP
Molecular Weight191.17 g/mol
Exact Mass191.05
IUPAC Name2-amino-2-methyl-3-phosphanylideneinden-1-one
SMILES[H]/P=C1\c2ccccc2C(=O)C1(C)N
InChIInChI=1S/C10H10NOP/c1-10(11)8(12)6-4-2-3-5-7(6)9(10)13/h2-5,13H,11H2,1H3
InChIKeyYWGKBNFZXKFHSU-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-3-phosphanylideneinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phosphanylideneinden-1-one?
The IUPAC name of 2-amino-2-methyl-3-phosphanylideneinden-1-one (CID 90079095) is 2-amino-2-methyl-3-phosphanylideneinden-1-one.
What is the SMILES notation for 2-amino-2-methyl-3-phosphanylideneinden-1-one?
The canonical SMILES for 2-amino-2-methyl-3-phosphanylideneinden-1-one is [H]/P=C1\c2ccccc2C(=O)C1(C)N.
What is the InChIKey of 2-amino-2-methyl-3-phosphanylideneinden-1-one?
The InChIKey is YWGKBNFZXKFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NOP/c1-10(11)8(12)6-4-2-3-5-7(6)9(10)13/h2-5,13H,11H2,1H3.
What are the key properties of 2-amino-2-methyl-3-phosphanylideneinden-1-one?
2-amino-2-methyl-3-phosphanylideneinden-1-one has a molecular weight of 191.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phosphanylideneinden-1-one is sourced from PubChem (CID 90079095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).