1-(3-methylbutyl)benzo[cd]indol-2-one

C16H17NO — CID 18758112

IUPAC1-(3-methylbutyl)benzo[cd]indol-2-one
SMILESCC(C)CCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(2)9-10-17-14-8-4-6-12-5-3-7-13(15(12)14)16(17)18/h3-8,11H,9-10H2,1-2H3
InChIKeyLPNHBMPSNMXESE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-methylbutyl)benzo[cd]indol-2-one

1-(3-methylbutyl)benzo[cd]indol-2-one (PubChem CID 18758112) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-methylbutyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)benzo[cd]indol-2-one
PubChem CID18758112
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-methylbutyl)benzo[cd]indol-2-one
SMILESCC(C)CCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(2)9-10-17-14-8-4-6-12-5-3-7-13(15(12)14)16(17)18/h3-8,11H,9-10H2,1-2H3
InChIKeyLPNHBMPSNMXESE-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.85
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-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
2-(3-hydroxybutyl)benzo[de]isoquinoline-1,3-dione
CID 53348109
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101363794
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(2-aminopentyl)benzo[cd]indol-2-one
CID 62041461
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
CID 103482297

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(3-methylbutyl)benzo[cd]indol-2-one (CID 18758112) is 1-(3-methylbutyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(3-methylbutyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(3-methylbutyl)benzo[cd]indol-2-one is CC(C)CCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-(3-methylbutyl)benzo[cd]indol-2-one?
The InChIKey is LPNHBMPSNMXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(2)9-10-17-14-8-4-6-12-5-3-7-13(15(12)14)16(17)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)benzo[cd]indol-2-one?
1-(3-methylbutyl)benzo[cd]indol-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)benzo[cd]indol-2-one is sourced from PubChem (CID 18758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).