[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate

C11H16N2O3 — CID 150360244

IUPAC[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccc(CO)n1)OC(N)=O
InChIInChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-8-4-3-5-9(7-14)13-8/h3-5,14H,6-7H2,1-2H3,(H2,12,15)
InChIKeyGVOHMDURKGFRNW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.99
Rot. Bonds4

About [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate

[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150360244) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
PubChem CID150360244
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccc(CO)n1)OC(N)=O
InChIInChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-8-4-3-5-9(7-14)13-8/h3-5,14H,6-7H2,1-2H3,(H2,12,15)
InChIKeyGVOHMDURKGFRNW-UHFFFAOYSA-N
XLogP0.99
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate
CID 58105232
[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151373577
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
(6-ethyl-2-pyridinyl)methanol
CID 10749240
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
ethyl 4-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpentanoate
CID 135255927
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-2-yl] carbamate
CID 150242419
1,1-diphenylethyl carbamate
CID 20976713
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057
[2-methyl-1-(4-prop-2-ynylphenyl)propan-2-yl] carbamate
CID 150441455
3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
CID 57068973

Frequently Asked Questions

What is the IUPAC name of [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate (CID 150360244) is [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cccc(CO)n1)OC(N)=O.
What is the InChIKey of [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is GVOHMDURKGFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-8-4-3-5-9(7-14)13-8/h3-5,14H,6-7H2,1-2H3,(H2,12,15).
What are the key properties of [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 224.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150360244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).