ethane;7-methyl-1-propylbenzo[cd]indol-2-one

C19H27NO — CID 178168650

IUPACethane;7-methyl-1-propylbenzo[cd]indol-2-one
SMILESCC.CC.CCCN1C(=O)c2cccc3cc(C)cc1c23
InChIInChI=1S/C15H15NO.2C2H6/c1-3-7-16-13-9-10(2)8-11-5-4-6-12(14(11)13)15(16)17;2*1-2/h4-6,8-9H,3,7H2,1-2H3;2*1-2H3
InChIKeyICRGHKVZPHGVKW-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.57
Rot. Bonds2

About ethane;7-methyl-1-propylbenzo[cd]indol-2-one

ethane;7-methyl-1-propylbenzo[cd]indol-2-one (PubChem CID 178168650) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;7-methyl-1-propylbenzo[cd]indol-2-one.

Molecular Properties

Compound Nameethane;7-methyl-1-propylbenzo[cd]indol-2-one
PubChem CID178168650
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Nameethane;7-methyl-1-propylbenzo[cd]indol-2-one
SMILESCC.CC.CCCN1C(=O)c2cccc3cc(C)cc1c23
InChIInChI=1S/C15H15NO.2C2H6/c1-3-7-16-13-9-10(2)8-11-5-4-6-12(14(11)13)15(16)17;2*1-2/h4-6,8-9H,3,7H2,1-2H3;2*1-2H3
InChIKeyICRGHKVZPHGVKW-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
hydron;2-propylisoindole-1,3-dione
CID 174827386
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
CID 116619012
2-[2-(propylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 53348110
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(2-aminopentyl)benzo[cd]indol-2-one
CID 62041461
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1-propylbenzo[cd]indol-2-one?
The IUPAC name of ethane;7-methyl-1-propylbenzo[cd]indol-2-one (CID 178168650) is ethane;7-methyl-1-propylbenzo[cd]indol-2-one.
What is the SMILES notation for ethane;7-methyl-1-propylbenzo[cd]indol-2-one?
The canonical SMILES for ethane;7-methyl-1-propylbenzo[cd]indol-2-one is CC.CC.CCCN1C(=O)c2cccc3cc(C)cc1c23.
What is the InChIKey of ethane;7-methyl-1-propylbenzo[cd]indol-2-one?
The InChIKey is ICRGHKVZPHGVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.2C2H6/c1-3-7-16-13-9-10(2)8-11-5-4-6-12(14(11)13)15(16)17;2*1-2/h4-6,8-9H,3,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-methyl-1-propylbenzo[cd]indol-2-one?
ethane;7-methyl-1-propylbenzo[cd]indol-2-one has a molecular weight of 285.43 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1-propylbenzo[cd]indol-2-one is sourced from PubChem (CID 178168650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).