1-(1-aminoprop-2-enyl)anthracene-9,10-dione

C17H13NO2 — CID 70616094

IUPAC1-(1-aminoprop-2-enyl)anthracene-9,10-dione
SMILESC=CC(N)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO2/c1-2-14(18)12-8-5-9-13-15(12)17(20)11-7-4-3-6-10(11)16(13)19/h2-9,14H,1,18H2
InChIKeyLMKWMOGJDKMHGI-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.65
Rot. Bonds2

About 1-(1-aminoprop-2-enyl)anthracene-9,10-dione

1-(1-aminoprop-2-enyl)anthracene-9,10-dione (PubChem CID 70616094) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyl)anthracene-9,10-dione
PubChem CID70616094
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-(1-aminoprop-2-enyl)anthracene-9,10-dione
SMILESC=CC(N)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO2/c1-2-14(18)12-8-5-9-13-15(12)17(20)11-7-4-3-6-10(11)16(13)19/h2-9,14H,1,18H2
InChIKeyLMKWMOGJDKMHGI-UHFFFAOYSA-N
XLogP2.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dibromomethyl)anthracene-9,10-dione
CID 13270884
1-(1-bromoethyl)anthracene-9,10-dione
CID 23511068
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
methyl 2-chloro-2-(9,10-dioxoanthracen-1-yl)acetate
CID 13270885
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
CID 158452185
CID 158452185
1-aminoanthracene-9,10-dione;molecular nitrogen
CID 67788391
2-[(9,10-dioxoanthracen-1-yl)amino]but-3-enoic acid
CID 139606526
anthracene-9,10-dione;prop-2-enamide
CID 67819663
(1S)-1-(2-nitrophenyl)prop-2-en-1-amine
CID 131167778
1-(1-aminoethylamino)anthracene-9,10-dione
CID 150877100

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enyl)anthracene-9,10-dione?
The IUPAC name of 1-(1-aminoprop-2-enyl)anthracene-9,10-dione (CID 70616094) is 1-(1-aminoprop-2-enyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(1-aminoprop-2-enyl)anthracene-9,10-dione?
The canonical SMILES for 1-(1-aminoprop-2-enyl)anthracene-9,10-dione is C=CC(N)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(1-aminoprop-2-enyl)anthracene-9,10-dione?
The InChIKey is LMKWMOGJDKMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-2-14(18)12-8-5-9-13-15(12)17(20)11-7-4-3-6-10(11)16(13)19/h2-9,14H,1,18H2.
What are the key properties of 1-(1-aminoprop-2-enyl)anthracene-9,10-dione?
1-(1-aminoprop-2-enyl)anthracene-9,10-dione has a molecular weight of 263.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyl)anthracene-9,10-dione is sourced from PubChem (CID 70616094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).