N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide

C8H11NO2 — CID 66006705

IUPACN-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CC(O)C1
InChIInChI=1S/C8H11NO2/c1-2-8(11)9-5-6-3-7(10)4-6/h1,6-7,10H,3-5H2,(H,9,11)
InChIKeyXSZSZSWDUBAHRX-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.49
Rot. Bonds2

About N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide

N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide (PubChem CID 66006705) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide
PubChem CID66006705
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CC(O)C1
InChIInChI=1S/C8H11NO2/c1-2-8(11)9-5-6-3-7(10)4-6/h1,6-7,10H,3-5H2,(H,9,11)
InChIKeyXSZSZSWDUBAHRX-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxycyclobutyl)methylurea
CID 66005226
2-amino-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005079
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145
1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005658
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 66006731
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
CID 130620155
N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide
CID 131879829
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide (CID 66006705) is N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide is C#CC(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide?
The InChIKey is XSZSZSWDUBAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(11)9-5-6-3-7(10)4-6/h1,6-7,10H,3-5H2,(H,9,11).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide?
N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide has a molecular weight of 153.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide is sourced from PubChem (CID 66006705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).