N-prop-2-ynylcyclooctanecarboxamide

C12H19NO — CID 65020760

IUPACN-prop-2-ynylcyclooctanecarboxamide
SMILESC#CCNC(=O)C1CCCCCCC1
InChIInChI=1S/C12H19NO/c1-2-10-13-12(14)11-8-6-4-3-5-7-9-11/h1,11H,3-10H2,(H,13,14)
InChIKeyMAYKHOIVDRHZCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.10
Rot. Bonds2

About N-prop-2-ynylcyclooctanecarboxamide

N-prop-2-ynylcyclooctanecarboxamide (PubChem CID 65020760) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-prop-2-ynylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-prop-2-ynylcyclooctanecarboxamide
PubChem CID65020760
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-prop-2-ynylcyclooctanecarboxamide
SMILESC#CCNC(=O)C1CCCCCCC1
InChIInChI=1S/C12H19NO/c1-2-10-13-12(14)11-8-6-4-3-5-7-9-11/h1,11H,3-10H2,(H,13,14)
InChIKeyMAYKHOIVDRHZCH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.10
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

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CID 79139027
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-propylcyclooctanecarboxamide
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1-acetyl-N-prop-2-ynylazetidine-3-carboxamide
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N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylcyclooctanecarboxamide?
The IUPAC name of N-prop-2-ynylcyclooctanecarboxamide (CID 65020760) is N-prop-2-ynylcyclooctanecarboxamide.
What is the SMILES notation for N-prop-2-ynylcyclooctanecarboxamide?
The canonical SMILES for N-prop-2-ynylcyclooctanecarboxamide is C#CCNC(=O)C1CCCCCCC1.
What is the InChIKey of N-prop-2-ynylcyclooctanecarboxamide?
The InChIKey is MAYKHOIVDRHZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-13-12(14)11-8-6-4-3-5-7-9-11/h1,11H,3-10H2,(H,13,14).
What are the key properties of N-prop-2-ynylcyclooctanecarboxamide?
N-prop-2-ynylcyclooctanecarboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylcyclooctanecarboxamide is sourced from PubChem (CID 65020760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).