N-(oxolan-2-ylmethyl)prop-2-ynamide

C8H11NO2 — CID 130015057

IUPACN-(oxolan-2-ylmethyl)prop-2-ynamide
SMILESC#CC(=O)NCC1CCCO1
InChIInChI=1S/C8H11NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h1,7H,3-6H2,(H,9,10)
InChIKeyAAZICCNLKFCMGT-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds2

About N-(oxolan-2-ylmethyl)prop-2-ynamide

N-(oxolan-2-ylmethyl)prop-2-ynamide (PubChem CID 130015057) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)prop-2-ynamide
PubChem CID130015057
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(oxolan-2-ylmethyl)prop-2-ynamide
SMILESC#CC(=O)NCC1CCCO1
InChIInChI=1S/C8H11NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h1,7H,3-6H2,(H,9,10)
InChIKeyAAZICCNLKFCMGT-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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-(oxolan-2-ylmethyl)prop-2-ynamide?
The IUPAC name of N-(oxolan-2-ylmethyl)prop-2-ynamide (CID 130015057) is N-(oxolan-2-ylmethyl)prop-2-ynamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)prop-2-ynamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)prop-2-ynamide is C#CC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)prop-2-ynamide?
The InChIKey is AAZICCNLKFCMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h1,7H,3-6H2,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)prop-2-ynamide?
N-(oxolan-2-ylmethyl)prop-2-ynamide has a molecular weight of 153.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)prop-2-ynamide is sourced from PubChem (CID 130015057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).