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

C18H20N2O — CID 116619002

IUPAC1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCN1CCCC1
InChIInChI=1S/C18H20N2O/c21-18-15-8-3-6-14-7-4-9-16(17(14)15)20(18)13-5-12-19-10-1-2-11-19/h3-4,6-9H,1-2,5,10-13H2
InChIKeyKCLAKPGGPDILHM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.29
Rot. Bonds4

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

1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one (PubChem CID 116619002) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
PubChem CID116619002
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCN1CCCC1
InChIInChI=1S/C18H20N2O/c21-18-15-8-3-6-14-7-4-9-16(17(14)15)20(18)13-5-12-19-10-1-2-11-19/h3-4,6-9H,1-2,5,10-13H2
InChIKeyKCLAKPGGPDILHM-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
CID 722274
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 3389100
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
2-(3-piperazin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 3435846
1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one
CID 155516282
11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 163455724
1-[6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]benzo[cd]indol-2-one
CID 155552799
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ylpropyl)butanamide
CID 9049016

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one (CID 116619002) is 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCCN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one?
The InChIKey is KCLAKPGGPDILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18-15-8-3-6-14-7-4-9-16(17(14)15)20(18)13-5-12-19-10-1-2-11-19/h3-4,6-9H,1-2,5,10-13H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one?
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one is sourced from PubChem (CID 116619002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).