N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide

C10H15NO2 — CID 107989555

IUPACN-[(1-hydroxycyclopentyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H15NO2/c1-2-5-9(12)11-8-10(13)6-3-4-7-10/h13H,3-4,6-8H2,1H3,(H,11,12)
InChIKeySPYAEQFVDWTJNS-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.43
Rot. Bonds2

About N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide

N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide (PubChem CID 107989555) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]but-2-ynamide
PubChem CID107989555
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H15NO2/c1-2-5-9(12)11-8-10(13)6-3-4-7-10/h13H,3-4,6-8H2,1H3,(H,11,12)
InChIKeySPYAEQFVDWTJNS-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide (CID 107989555) is N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide is CC#CC(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide?
The InChIKey is SPYAEQFVDWTJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-5-9(12)11-8-10(13)6-3-4-7-10/h13H,3-4,6-8H2,1H3,(H,11,12).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide?
N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]but-2-ynamide is sourced from PubChem (CID 107989555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).