N-hex-1-yn-3-ylcyclobutanecarboxamide

C11H17NO — CID 103528729

IUPACN-hex-1-yn-3-ylcyclobutanecarboxamide
SMILESC#CC(CCC)NC(=O)C1CCC1
InChIInChI=1S/C11H17NO/c1-3-6-10(4-2)12-11(13)9-7-5-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13)
InChIKeyLJLJOFHTGMSWJQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds4

About N-hex-1-yn-3-ylcyclobutanecarboxamide

N-hex-1-yn-3-ylcyclobutanecarboxamide (PubChem CID 103528729) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-hex-1-yn-3-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-ylcyclobutanecarboxamide
PubChem CID103528729
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-hex-1-yn-3-ylcyclobutanecarboxamide
SMILESC#CC(CCC)NC(=O)C1CCC1
InChIInChI=1S/C11H17NO/c1-3-6-10(4-2)12-11(13)9-7-5-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13)
InChIKeyLJLJOFHTGMSWJQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
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
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
CID 106228527
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide
CID 106230513
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylcyclobutanecarboxamide?
The IUPAC name of N-hex-1-yn-3-ylcyclobutanecarboxamide (CID 103528729) is N-hex-1-yn-3-ylcyclobutanecarboxamide.
What is the SMILES notation for N-hex-1-yn-3-ylcyclobutanecarboxamide?
The canonical SMILES for N-hex-1-yn-3-ylcyclobutanecarboxamide is C#CC(CCC)NC(=O)C1CCC1.
What is the InChIKey of N-hex-1-yn-3-ylcyclobutanecarboxamide?
The InChIKey is LJLJOFHTGMSWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-10(4-2)12-11(13)9-7-5-8-9/h2,9-10H,3,5-8H2,1H3,(H,12,13).
What are the key properties of N-hex-1-yn-3-ylcyclobutanecarboxamide?
N-hex-1-yn-3-ylcyclobutanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylcyclobutanecarboxamide is sourced from PubChem (CID 103528729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).