3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide

C8H13NO2 — CID 139406892

IUPAC3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCNC(=O)C12CC(CO)(C1)C2
InChIInChI=1S/C8H13NO2/c1-9-6(11)8-2-7(3-8,4-8)5-10/h10H,2-5H2,1H3,(H,9,11)
InChIKeyIOAHJEQKYJTGGI-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds2

About 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide

3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 139406892) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID139406892
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCNC(=O)C12CC(CO)(C1)C2
InChIInChI=1S/C8H13NO2/c1-9-6(11)8-2-7(3-8,4-8)5-10/h10H,2-5H2,1H3,(H,9,11)
InChIKeyIOAHJEQKYJTGGI-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 10796998
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CID 177137615
N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146303927
4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 162592331
4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
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(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide
CID 167080109
(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 139145399
7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085544
1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 170150593
CID 58226914
CID 58226914
CID 58226984
CID 58226984
(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 6939296

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide (CID 139406892) is 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide is CNC(=O)C12CC(CO)(C1)C2.
What is the InChIKey of 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is IOAHJEQKYJTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-6(11)8-2-7(3-8,4-8)5-10/h10H,2-5H2,1H3,(H,9,11).
What are the key properties of 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 139406892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).