1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one

C14H14N2O — CID 28793599

IUPAC1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
SMILESC[C@@H](N)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H14N2O/c1-9(15)8-16-12-7-3-5-10-4-2-6-11(13(10)12)14(16)17/h2-7,9H,8,15H2,1H3/t9-/m1/s1
InChIKeyRTZLMFRWJHLOLG-SECBINFHSA-N
MW226.28 g/mol
LogP2.15
Rot. Bonds2

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

1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one (PubChem CID 28793599) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
PubChem CID28793599
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
SMILESC[C@@H](N)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H14N2O/c1-9(15)8-16-12-7-3-5-10-4-2-6-11(13(10)12)14(16)17/h2-7,9H,8,15H2,1H3/t9-/m1/s1
InChIKeyRTZLMFRWJHLOLG-SECBINFHSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-(2-aminopentyl)benzo[cd]indol-2-one
CID 62041461
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
1-[2-(4-chlorophenyl)-2-hydroxyethyl]benzo[cd]indol-2-one
CID 47025328
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
CID 117031727
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one (CID 28793599) is 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one is C[C@@H](N)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one?
The InChIKey is RTZLMFRWJHLOLG-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(15)8-16-12-7-3-5-10-4-2-6-11(13(10)12)14(16)17/h2-7,9H,8,15H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one?
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one is sourced from PubChem (CID 28793599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).