10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one

C23H22O — CID 628791

IUPAC10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
SMILESCCCC1=C(CCC)C1=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C23H22O/c1-3-9-15-16(10-4-2)21(15)22-17-11-5-7-13-19(17)23(24)20-14-8-6-12-18(20)22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyGZTGIKXZCPDBSU-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.94
Rot. Bonds4

About 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one

10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one (PubChem CID 628791) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one.

Molecular Properties

Compound Name10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
PubChem CID628791
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
SMILESCCCC1=C(CCC)C1=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C23H22O/c1-3-9-15-16(10-4-2)21(15)22-17-11-5-7-13-19(17)23(24)20-14-8-6-12-18(20)22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyGZTGIKXZCPDBSU-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187
2-methyl-3-propylinden-1-one
CID 10465047
anthracene-9,10-dione;propane
CID 162068050
2-propan-2-yloxy-3-propylnaphthalene-1,4-dione
CID 19872802
2,3-dibutylinden-1-one
CID 10657817
2-propylanthracene-9,10-dione
CID 22643716
2-(3-methylbutyl)-3-phenylinden-1-one
CID 177453798
1,2-dipropylcyclopenta[b]naphthalen-3-one
CID 10659285
2-butyl-3-sulfanylnaphthalene-1,4-dione
CID 175119987
tris(fluoren-9-one);methane;methanol;propane
CID 158940113
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one?
The IUPAC name of 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one (CID 628791) is 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one.
What is the SMILES notation for 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one?
The canonical SMILES for 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one is CCCC1=C(CCC)C1=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one?
The InChIKey is GZTGIKXZCPDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-3-9-15-16(10-4-2)21(15)22-17-11-5-7-13-19(17)23(24)20-14-8-6-12-18(20)22/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one?
10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one has a molecular weight of 314.43 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one is sourced from PubChem (CID 628791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).