1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one

C18H22N2O — CID 99577336

IUPAC1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCN[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2/t17-/m1/s1
InChIKeyKAVZEPOVAFMTBY-QGZVFWFLSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds6

About 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one

1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one (PubChem CID 99577336) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
PubChem CID99577336
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCN[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2/t17-/m1/s1
InChIKeyKAVZEPOVAFMTBY-QGZVFWFLSA-N
XLogP2.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one?
The IUPAC name of 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one (CID 99577336) is 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one?
The canonical SMILES for 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one is O=c1ccccn1CCCCN[C@@H]1CCc2ccccc21.
What is the InChIKey of 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one?
The InChIKey is KAVZEPOVAFMTBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2/t17-/m1/s1.
What are the key properties of 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one?
1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one is sourced from PubChem (CID 99577336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).