N-hex-1-yn-3-yloxolane-3-carboxamide

C11H17NO2 — CID 103528440

IUPACN-hex-1-yn-3-yloxolane-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCOC1
InChIInChI=1S/C11H17NO2/c1-3-5-10(4-2)12-11(13)9-6-7-14-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13)
InChIKeyJCPCZRFSIVFPPH-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.94
Rot. Bonds4

About N-hex-1-yn-3-yloxolane-3-carboxamide

N-hex-1-yn-3-yloxolane-3-carboxamide (PubChem CID 103528440) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-hex-1-yn-3-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yloxolane-3-carboxamide
PubChem CID103528440
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-hex-1-yn-3-yloxolane-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCOC1
InChIInChI=1S/C11H17NO2/c1-3-5-10(4-2)12-11(13)9-6-7-14-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13)
InChIKeyJCPCZRFSIVFPPH-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.94
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-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 106230552
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
CID 106228527
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine
CID 106226251
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yloxolane-3-carboxamide?
The IUPAC name of N-hex-1-yn-3-yloxolane-3-carboxamide (CID 103528440) is N-hex-1-yn-3-yloxolane-3-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yloxolane-3-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yloxolane-3-carboxamide is C#CC(CCC)NC(=O)C1CCOC1.
What is the InChIKey of N-hex-1-yn-3-yloxolane-3-carboxamide?
The InChIKey is JCPCZRFSIVFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10(4-2)12-11(13)9-6-7-14-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13).
What are the key properties of N-hex-1-yn-3-yloxolane-3-carboxamide?
N-hex-1-yn-3-yloxolane-3-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yloxolane-3-carboxamide is sourced from PubChem (CID 103528440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).