N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide

C11H16N2O — CID 130787810

IUPACN-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESC#CC(CC)NC(=O)C1C2CNC1C2
InChIInChI=1S/C11H16N2O/c1-3-8(4-2)13-11(14)10-7-5-9(10)12-6-7/h1,7-10,12H,4-6H2,2H3,(H,13,14)
InChIKeyUZGWEFCMTMJMNA-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.12
Rot. Bonds3

About N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide

N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide (PubChem CID 130787810) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide
PubChem CID130787810
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESC#CC(CC)NC(=O)C1C2CNC1C2
InChIInChI=1S/C11H16N2O/c1-3-8(4-2)13-11(14)10-7-5-9(10)12-6-7/h1,7-10,12H,4-6H2,2H3,(H,13,14)
InChIKeyUZGWEFCMTMJMNA-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230325
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
N-but-3-ynyl-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 130787794
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
6-(pent-1-yn-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 106223888
2,2-dimethyl-3-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223882
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709
2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271
1-(2-azabicyclo[2.1.1]hexan-5-yl)-3-methylbut-3-en-1-one
CID 130787831

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide (CID 130787810) is N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide is C#CC(CC)NC(=O)C1C2CNC1C2.
What is the InChIKey of N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The InChIKey is UZGWEFCMTMJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(4-2)13-11(14)10-7-5-9(10)12-6-7/h1,7-10,12H,4-6H2,2H3,(H,13,14).
What are the key properties of N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide?
N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide is sourced from PubChem (CID 130787810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).