N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide

C11H17NO2 — CID 107262082

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H17NO2/c1-3-6-10(13)12(2)9-11(14)7-4-5-8-11/h14H,4-5,7-9H2,1-2H3
InChIKeyBBTVZIVTMJKSQB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds2

About N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide

N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide (PubChem CID 107262082) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
PubChem CID107262082
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H17NO2/c1-3-6-10(13)12(2)9-11(14)7-4-5-8-11/h14H,4-5,7-9H2,1-2H3
InChIKeyBBTVZIVTMJKSQB-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979
3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
CID 114948691
5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 114953852
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-[acetyl(methyl)amino]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759885
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499357
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 114037872
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332
N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide (CID 107262082) is N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide is CC#CC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide?
The InChIKey is BBTVZIVTMJKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-6-10(13)12(2)9-11(14)7-4-5-8-11/h14H,4-5,7-9H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide has a molecular weight of 195.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide is sourced from PubChem (CID 107262082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).