1-(2-aminopentyl)benzo[cd]indol-2-one

C16H18N2O — CID 62041461

IUPAC1-(2-aminopentyl)benzo[cd]indol-2-one
SMILESCCCC(N)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H18N2O/c1-2-5-12(17)10-18-14-9-4-7-11-6-3-8-13(15(11)14)16(18)19/h3-4,6-9,12H,2,5,10,17H2,1H3
InChIKeyHDFHMDPWCZEJLS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.93
Rot. Bonds4

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

1-(2-aminopentyl)benzo[cd]indol-2-one (PubChem CID 62041461) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-aminopentyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(2-aminopentyl)benzo[cd]indol-2-one
PubChem CID62041461
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2-aminopentyl)benzo[cd]indol-2-one
SMILESCCCC(N)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H18N2O/c1-2-5-12(17)10-18-14-9-4-7-11-6-3-8-13(15(11)14)16(18)19/h3-4,6-9,12H,2,5,10,17H2,1H3
InChIKeyHDFHMDPWCZEJLS-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(2-aminopentyl)benzo[cd]indol-2-one (CID 62041461) is 1-(2-aminopentyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(2-aminopentyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(2-aminopentyl)benzo[cd]indol-2-one is CCCC(N)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-(2-aminopentyl)benzo[cd]indol-2-one?
The InChIKey is HDFHMDPWCZEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-5-12(17)10-18-14-9-4-7-11-6-3-8-13(15(11)14)16(18)19/h3-4,6-9,12H,2,5,10,17H2,1H3.
What are the key properties of 1-(2-aminopentyl)benzo[cd]indol-2-one?
1-(2-aminopentyl)benzo[cd]indol-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentyl)benzo[cd]indol-2-one is sourced from PubChem (CID 62041461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).