1-amino-4-methyl-10H-anthracen-9-one

C15H13NO — CID 163804927

IUPAC1-amino-4-methyl-10H-anthracen-9-one
SMILESCc1ccc(N)c2c1Cc1ccccc1C2=O
InChIInChI=1S/C15H13NO/c1-9-6-7-13(16)14-12(9)8-10-4-2-3-5-11(10)15(14)17/h2-7H,8,16H2,1H3
InChIKeyNIEZRLCZGQRXCA-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.71
Rot. Bonds

About 1-amino-4-methyl-10H-anthracen-9-one

1-amino-4-methyl-10H-anthracen-9-one (PubChem CID 163804927) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-amino-4-methyl-10H-anthracen-9-one.

Molecular Properties

Compound Name1-amino-4-methyl-10H-anthracen-9-one
PubChem CID163804927
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name1-amino-4-methyl-10H-anthracen-9-one
SMILESCc1ccc(N)c2c1Cc1ccccc1C2=O
InChIInChI=1S/C15H13NO/c1-9-6-7-13(16)14-12(9)8-10-4-2-3-5-11(10)15(14)17/h2-7H,8,16H2,1H3
InChIKeyNIEZRLCZGQRXCA-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
CID 100914038
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1-(4-amino-9,10-dioxoanthracen-1-yl)-4-methylanthracene-9,10-dione;ethane
CID 90789335
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
2,3,4-trimethyl-10H-anthracen-9-one
CID 21344517
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
10H-anthracen-9-one;ethane;methanol
CID 90976205
10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
CID 19860324
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
4-chloro-9H-fluoren-1-amine
CID 86060029
10H-anthracen-9-one;fluoren-9-one
CID 67642372
9H-fluorene-1,2,3,4-tetramine
CID 67197336

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-10H-anthracen-9-one?
The IUPAC name of 1-amino-4-methyl-10H-anthracen-9-one (CID 163804927) is 1-amino-4-methyl-10H-anthracen-9-one.
What is the SMILES notation for 1-amino-4-methyl-10H-anthracen-9-one?
The canonical SMILES for 1-amino-4-methyl-10H-anthracen-9-one is Cc1ccc(N)c2c1Cc1ccccc1C2=O.
What is the InChIKey of 1-amino-4-methyl-10H-anthracen-9-one?
The InChIKey is NIEZRLCZGQRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-9-6-7-13(16)14-12(9)8-10-4-2-3-5-11(10)15(14)17/h2-7H,8,16H2,1H3.
What are the key properties of 1-amino-4-methyl-10H-anthracen-9-one?
1-amino-4-methyl-10H-anthracen-9-one has a molecular weight of 223.28 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-10H-anthracen-9-one is sourced from PubChem (CID 163804927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).