2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride

C20H21Cl2N3O — CID 67165264

IUPAC2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride
SMILESCN1C=C2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)CC2C1.Cl.Cl
InChIInChI=1S/C20H19N3O.2ClH/c1-22-8-12-10-23(11-13(12)9-22)15-3-5-17-16-4-2-14(21)6-18(16)20(24)19(17)7-15;;/h2-8,13H,9-11,21H2,1H3;2*1H
InChIKeyWJVRMIBVNXFBON-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.59
Rot. Bonds1

About 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride

2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride (PubChem CID 67165264) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride
PubChem CID67165264
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride
SMILESCN1C=C2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)CC2C1.Cl.Cl
InChIInChI=1S/C20H19N3O.2ClH/c1-22-8-12-10-23(11-13(12)9-22)15-3-5-17-16-4-2-14(21)6-18(16)20(24)19(17)7-15;;/h2-8,13H,9-11,21H2,1H3;2*1H
InChIKeyWJVRMIBVNXFBON-UHFFFAOYSA-N
XLogP3.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride?
The IUPAC name of 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride (CID 67165264) is 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride.
What is the SMILES notation for 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride?
The canonical SMILES for 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride is CN1C=C2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)CC2C1.Cl.Cl.
What is the InChIKey of 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride?
The InChIKey is WJVRMIBVNXFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.2ClH/c1-22-8-12-10-23(11-13(12)9-22)15-3-5-17-16-4-2-14(21)6-18(16)20(24)19(17)7-15;;/h2-8,13H,9-11,21H2,1H3;2*1H.
What are the key properties of 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride?
2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride has a molecular weight of 390.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-methyl-1,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one;dihydrochloride is sourced from PubChem (CID 67165264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).