10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one

C20H24N2O — CID 143543177

IUPAC10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one
SMILESC=C(NCCC)Nc1ccc2c(c1)C(C)C1C=CC=CC1C2=O
InChIInChI=1S/C20H24N2O/c1-4-11-21-14(3)22-15-9-10-18-19(12-15)13(2)16-7-5-6-8-17(16)20(18)23/h5-10,12-13,16-17,21-22H,3-4,11H2,1-2H3
InChIKeyTYZOBOZYZWZNMA-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.23
Rot. Bonds5

About 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one

10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one (PubChem CID 143543177) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one.

Molecular Properties

Compound Name10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one
PubChem CID143543177
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one
SMILESC=C(NCCC)Nc1ccc2c(c1)C(C)C1C=CC=CC1C2=O
InChIInChI=1S/C20H24N2O/c1-4-11-21-14(3)22-15-9-10-18-19(12-15)13(2)16-7-5-6-8-17(16)20(18)23/h5-10,12-13,16-17,21-22H,3-4,11H2,1-2H3
InChIKeyTYZOBOZYZWZNMA-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one?
The IUPAC name of 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one (CID 143543177) is 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one.
What is the SMILES notation for 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one?
The canonical SMILES for 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one is C=C(NCCC)Nc1ccc2c(c1)C(C)C1C=CC=CC1C2=O.
What is the InChIKey of 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one?
The InChIKey is TYZOBOZYZWZNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-11-21-14(3)22-15-9-10-18-19(12-15)13(2)16-7-5-6-8-17(16)20(18)23/h5-10,12-13,16-17,21-22H,3-4,11H2,1-2H3.
What are the key properties of 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one?
10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one has a molecular weight of 308.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one is sourced from PubChem (CID 143543177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).