N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide

C13H17NO2 — CID 14392046

IUPACN-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCC(=O)NC1CCc2c(C)cc(C)c(O)c21
InChIInChI=1S/C13H17NO2/c1-7-6-8(2)13(16)12-10(7)4-5-11(12)14-9(3)15/h6,11,16H,4-5H2,1-3H3,(H,14,15)
InChIKeySPPPJOSZQRYPDO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.13
Rot. Bonds1

About N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide

N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 14392046) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID14392046
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCC(=O)NC1CCc2c(C)cc(C)c(O)c21
InChIInChI=1S/C13H17NO2/c1-7-6-8(2)13(16)12-10(7)4-5-11(12)14-9(3)15/h6,11,16H,4-5H2,1-3H3,(H,14,15)
InChIKeySPPPJOSZQRYPDO-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide (CID 14392046) is N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide is CC(=O)NC1CCc2c(C)cc(C)c(O)c21.
What is the InChIKey of N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is SPPPJOSZQRYPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7-6-8(2)13(16)12-10(7)4-5-11(12)14-9(3)15/h6,11,16H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide?
N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 14392046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).