N-but-2-ynyl-5-methyloxolane-3-carboxamide

C10H15NO2 — CID 126992947

IUPACN-but-2-ynyl-5-methyloxolane-3-carboxamide
SMILESCC#CCNC(=O)C1COC(C)C1
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-10(12)9-6-8(2)13-7-9/h8-9H,5-7H2,1-2H3,(H,11,12)
InChIKeyJZBNQPCVHRQCAX-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.55
Rot. Bonds2

About N-but-2-ynyl-5-methyloxolane-3-carboxamide

N-but-2-ynyl-5-methyloxolane-3-carboxamide (PubChem CID 126992947) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-but-2-ynyl-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-5-methyloxolane-3-carboxamide
PubChem CID126992947
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-but-2-ynyl-5-methyloxolane-3-carboxamide
SMILESCC#CCNC(=O)C1COC(C)C1
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-10(12)9-6-8(2)13-7-9/h8-9H,5-7H2,1-2H3,(H,11,12)
InChIKeyJZBNQPCVHRQCAX-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.55
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-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
CID 114826466
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-[(3-chlorocyclopentyl)methyl]-5-methyloxolane-3-carboxamide
CID 106127038
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114826219

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-5-methyloxolane-3-carboxamide?
The IUPAC name of N-but-2-ynyl-5-methyloxolane-3-carboxamide (CID 126992947) is N-but-2-ynyl-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-but-2-ynyl-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-but-2-ynyl-5-methyloxolane-3-carboxamide is CC#CCNC(=O)C1COC(C)C1.
What is the InChIKey of N-but-2-ynyl-5-methyloxolane-3-carboxamide?
The InChIKey is JZBNQPCVHRQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-11-10(12)9-6-8(2)13-7-9/h8-9H,5-7H2,1-2H3,(H,11,12).
What are the key properties of N-but-2-ynyl-5-methyloxolane-3-carboxamide?
N-but-2-ynyl-5-methyloxolane-3-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 126992947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).