N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide

C9H13NO2 — CID 131018848

IUPACN-but-3-yn-2-yl-N-methyloxetane-2-carboxamide
SMILESC#CC(C)N(C)C(=O)C1CCO1
InChIInChI=1S/C9H13NO2/c1-4-7(2)10(3)9(11)8-5-6-12-8/h1,7-8H,5-6H2,2-3H3
InChIKeyWHYOXFVQPKMURA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.26
Rot. Bonds2

About N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide

N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide (PubChem CID 131018848) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-N-methyloxetane-2-carboxamide
PubChem CID131018848
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-but-3-yn-2-yl-N-methyloxetane-2-carboxamide
SMILESC#CC(C)N(C)C(=O)C1CCO1
InChIInChI=1S/C9H13NO2/c1-4-7(2)10(3)9(11)8-5-6-12-8/h1,7-8H,5-6H2,2-3H3
InChIKeyWHYOXFVQPKMURA-UHFFFAOYSA-N
XLogP0.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-N-methyloxane-2-carboxamide
CID 104556334
N-(4-methylpent-1-yn-3-yl)oxetane-2-carboxamide
CID 130748567
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
3-methyl-2-[methyl-(2-methyloxane-4-carbonyl)amino]butanoic acid
CID 110835660
2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
CID 62214579
N-(2-bromopropyl)-N-methyloxane-2-carboxamide
CID 80665099
N-but-3-yn-2-yl-N,2,3-trimethylbut-2-enamide
CID 130683777
N-(2-cyanoethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 60654495
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
3-[methyl-(2-methyloxane-4-carbonyl)amino]butanoic acid
CID 110835666
N-(2-hydroxyethyl)-N-propan-2-yloxolane-2-carboxamide
CID 43573102

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide (CID 131018848) is N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide is C#CC(C)N(C)C(=O)C1CCO1.
What is the InChIKey of N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide?
The InChIKey is WHYOXFVQPKMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-7(2)10(3)9(11)8-5-6-12-8/h1,7-8H,5-6H2,2-3H3.
What are the key properties of N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide?
N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-N-methyloxetane-2-carboxamide is sourced from PubChem (CID 131018848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).