5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide

C12H15NO2 — CID 158071360

IUPAC5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(N)=O)Cc2ccc(CO)cc2C1
InChIInChI=1S/C12H15NO2/c1-12(11(13)15)5-9-3-2-8(7-14)4-10(9)6-12/h2-4,14H,5-7H2,1H3,(H2,13,15)
InChIKeyPFJYZYIVASSHIY-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.77
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide

5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide (PubChem CID 158071360) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide
PubChem CID158071360
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(N)=O)Cc2ccc(CO)cc2C1
InChIInChI=1S/C12H15NO2/c1-12(11(13)15)5-9-3-2-8(7-14)4-10(9)6-12/h2-4,14H,5-7H2,1H3,(H2,13,15)
InChIKeyPFJYZYIVASSHIY-UHFFFAOYSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide
CID 58345382
[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
CID 11557723
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
CID 143068293
(1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-5-yl)methanol
CID 167048183
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
CID 132513681
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
CID 144629236
(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium
CID 58553900
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
CID 15720423
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide (CID 158071360) is 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide is CC1(C(N)=O)Cc2ccc(CO)cc2C1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is PFJYZYIVASSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(11(13)15)5-9-3-2-8(7-14)4-10(9)6-12/h2-4,14H,5-7H2,1H3,(H2,13,15).
What are the key properties of 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 158071360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).