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

C19H17NO2 — CID 168515641

IUPAC2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione
SMILESCc1ccc2c(c1N1CCCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO2/c1-12-8-9-15-16(17(12)20-10-4-5-11-20)19(22)14-7-3-2-6-13(14)18(15)21/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyBKWQUZMACHLMQW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.37
Rot. Bonds1

About 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione

2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione (PubChem CID 168515641) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione
PubChem CID168515641
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione
SMILESCc1ccc2c(c1N1CCCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO2/c1-12-8-9-15-16(17(12)20-10-4-5-11-20)19(22)14-7-3-2-6-13(14)18(15)21/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyBKWQUZMACHLMQW-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.37
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

1,2,3-trichloro-4-piperidin-1-ylanthracene-9,10-dione
CID 3754731
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2,3-dichloro-1-hydroxy-4-pyrrolidin-1-ylanthracene-9,10-dione
CID 168514644
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
1,8-di(piperidin-1-yl)anthracene-9,10-dione
CID 11314827
bis(2-methyl-9,10-dioxoanthracen-1-yl) sulfate
CID 175098018
N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide
CID 87121678
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
(2-methyl-9,10-dioxoanthracen-1-yl) acetate
CID 5146503
1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
CID 11760543
methane;2-(4-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 159705780
N,N'-bis(2-methyl-9,10-dioxoanthracen-1-yl)propanediamide
CID 2749322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione (CID 168515641) is 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione is Cc1ccc2c(c1N1CCCC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione?
The InChIKey is BKWQUZMACHLMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-8-9-15-16(17(12)20-10-4-5-11-20)19(22)14-7-3-2-6-13(14)18(15)21/h2-3,6-9H,4-5,10-11H2,1H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione?
2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione has a molecular weight of 291.35 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione is sourced from PubChem (CID 168515641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).