2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide

C14H17NO3 — CID 156783192

IUPAC2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
SMILESCC(C)NC(=O)C1(CO)Cc2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-9(2)15-13(18)14(8-16)7-10-5-3-4-6-11(10)12(14)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,18)
InChIKeyMUJWTRHBQADEPK-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.93
Rot. Bonds3

About 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide

2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide (PubChem CID 156783192) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
PubChem CID156783192
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
SMILESCC(C)NC(=O)C1(CO)Cc2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-9(2)15-13(18)14(8-16)7-10-5-3-4-6-11(10)12(14)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,18)
InChIKeyMUJWTRHBQADEPK-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 162416140
methyl 3-oxo-2-(2-oxopropyl)-1H-indene-2-carboxylate
CID 134850202
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881
ethyl (2R)-3-oxo-2-phenacyl-1H-indene-2-carboxylate
CID 135016562
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684
tert-butyl 3-oxo-2-(3-oxobutyl)-1H-indene-2-carboxylate
CID 69428584
3-methyl-1-oxo-N-pentan-3-yl-4H-isochromene-3-carboxamide
CID 24680936
(3S)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 97068877
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide (CID 156783192) is 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide is CC(C)NC(=O)C1(CO)Cc2ccccc2C1=O.
What is the InChIKey of 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The InChIKey is MUJWTRHBQADEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)15-13(18)14(8-16)7-10-5-3-4-6-11(10)12(14)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide is sourced from PubChem (CID 156783192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).