1-pyrrolidin-1-ylanthracene-9,10-dione

C18H15NO2 — CID 2890949

IUPAC1-pyrrolidin-1-ylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1
InChIInChI=1S/C18H15NO2/c20-17-12-6-1-2-7-13(12)18(21)16-14(17)8-5-9-15(16)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2
InChIKeyXJCRACQCKIXTBK-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.06
Rot. Bonds1

About 1-pyrrolidin-1-ylanthracene-9,10-dione

1-pyrrolidin-1-ylanthracene-9,10-dione (PubChem CID 2890949) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1-pyrrolidin-1-ylanthracene-9,10-dione
PubChem CID2890949
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-pyrrolidin-1-ylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1
InChIInChI=1S/C18H15NO2/c20-17-12-6-1-2-7-13(12)18(21)16-14(17)8-5-9-15(16)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2
InChIKeyXJCRACQCKIXTBK-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

C.I. Disperse Blue 3
CID 17191
1-Aminoanthraquinone
CID 6710
1,5-Diaminoanthraquinone
CID 8513
Solvent Red 111
CID 6706
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
1,4-Bis((2-hydroxyethyl)amino)anthraquinone
CID 20549
Anthrimide
CID 6700
Disperse Violet 4
CID 14650
9,10-Anthracenedione, 1,4-bis(methylamino)-
CID 17189
Corinth flour
CID 66479
Solvent Blue 14
CID 75847

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylanthracene-9,10-dione?
The IUPAC name of 1-pyrrolidin-1-ylanthracene-9,10-dione (CID 2890949) is 1-pyrrolidin-1-ylanthracene-9,10-dione.
What is the SMILES notation for 1-pyrrolidin-1-ylanthracene-9,10-dione?
The canonical SMILES for 1-pyrrolidin-1-ylanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylanthracene-9,10-dione?
The InChIKey is XJCRACQCKIXTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-12-6-1-2-7-13(12)18(21)16-14(17)8-5-9-15(16)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2.
What are the key properties of 1-pyrrolidin-1-ylanthracene-9,10-dione?
1-pyrrolidin-1-ylanthracene-9,10-dione has a molecular weight of 277.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylanthracene-9,10-dione is sourced from PubChem (CID 2890949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).