2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione

C17H16N2O2 — CID 139355512

IUPAC2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione
SMILESN[C@@H](Cc1ccccn1)CC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O2/c18-11(9-12-5-3-4-8-19-12)10-15-16(20)13-6-1-2-7-14(13)17(15)21/h1-8,11,15H,9-10,18H2/t11-/m0/s1
InChIKeyRXRARMJUWACZQT-NSHDSACASA-N
MW280.33 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione

2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione (PubChem CID 139355512) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione
PubChem CID139355512
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione
SMILESN[C@@H](Cc1ccccn1)CC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O2/c18-11(9-12-5-3-4-8-19-12)10-15-16(20)13-6-1-2-7-14(13)17(15)21/h1-8,11,15H,9-10,18H2/t11-/m0/s1
InChIKeyRXRARMJUWACZQT-NSHDSACASA-N
XLogP2.04
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione?
The IUPAC name of 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione (CID 139355512) is 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione?
The canonical SMILES for 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione is N[C@@H](Cc1ccccn1)CC1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione?
The InChIKey is RXRARMJUWACZQT-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11(9-12-5-3-4-8-19-12)10-15-16(20)13-6-1-2-7-14(13)17(15)21/h1-8,11,15H,9-10,18H2/t11-/m0/s1.
What are the key properties of 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione?
2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione is sourced from PubChem (CID 139355512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).