10-amino-1,10-bis(prop-2-enyl)anthracen-9-one

C20H19NO — CID 70608864

IUPAC10-amino-1,10-bis(prop-2-enyl)anthracen-9-one
SMILESC=CCc1cccc2c1C(=O)c1ccccc1C2(N)CC=C
InChIInChI=1S/C20H19NO/c1-3-8-14-9-7-12-17-18(14)19(22)15-10-5-6-11-16(15)20(17,21)13-4-2/h3-7,9-12H,1-2,8,13,21H2
InChIKeySODSXXMVZYIRNT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.74
Rot. Bonds4

About 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one

10-amino-1,10-bis(prop-2-enyl)anthracen-9-one (PubChem CID 70608864) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one.

Molecular Properties

Compound Name10-amino-1,10-bis(prop-2-enyl)anthracen-9-one
PubChem CID70608864
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name10-amino-1,10-bis(prop-2-enyl)anthracen-9-one
SMILESC=CCc1cccc2c1C(=O)c1ccccc1C2(N)CC=C
InChIInChI=1S/C20H19NO/c1-3-8-14-9-7-12-17-18(14)19(22)15-10-5-6-11-16(15)20(17,21)13-4-2/h3-7,9-12H,1-2,8,13,21H2
InChIKeySODSXXMVZYIRNT-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
9-amino-1-prop-2-enylfluorene-9-carboxamide
CID 70447906
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
1,2,3,4,5-pentakis(prop-2-enyl)-10H-anthracen-9-one
CID 174427801
4-prop-2-enylinden-1-one
CID 140984036
1-prop-2-enylfluoranthene
CID 173108316
2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile
CID 66879284
4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
CID 174870617
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101

Frequently Asked Questions

What is the IUPAC name of 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one?
The IUPAC name of 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one (CID 70608864) is 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one.
What is the SMILES notation for 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one?
The canonical SMILES for 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one is C=CCc1cccc2c1C(=O)c1ccccc1C2(N)CC=C.
What is the InChIKey of 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one?
The InChIKey is SODSXXMVZYIRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-8-14-9-7-12-17-18(14)19(22)15-10-5-6-11-16(15)20(17,21)13-4-2/h3-7,9-12H,1-2,8,13,21H2.
What are the key properties of 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one?
10-amino-1,10-bis(prop-2-enyl)anthracen-9-one has a molecular weight of 289.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-1,10-bis(prop-2-enyl)anthracen-9-one is sourced from PubChem (CID 70608864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).