N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide

C9H13NO2 — CID 131019437

IUPACN-[1-(oxolan-2-yl)prop-2-ynyl]acetamide
SMILESC#CC(NC(C)=O)C1CCCO1
InChIInChI=1S/C9H13NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h1,8-9H,4-6H2,2H3,(H,10,11)
InChIKeyDPUMCBLTLNVILD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds2

About N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide

N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide (PubChem CID 131019437) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)prop-2-ynyl]acetamide
PubChem CID131019437
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-[1-(oxolan-2-yl)prop-2-ynyl]acetamide
SMILESC#CC(NC(C)=O)C1CCCO1
InChIInChI=1S/C9H13NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h1,8-9H,4-6H2,2H3,(H,10,11)
InChIKeyDPUMCBLTLNVILD-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(oxolan-2-yl)prop-2-ynylcarbamoylamino]butanoic acid
CID 122010625
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
2,3-dihydroxy-N-[1-(oxolan-2-yl)prop-2-ynyl]benzamide
CID 122151276
2-[ethyl-[3-[1-(oxolan-2-yl)prop-2-ynylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122010631
(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
CID 130563392
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
CID 10943229
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide?
The IUPAC name of N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide (CID 131019437) is N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide?
The canonical SMILES for N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide is C#CC(NC(C)=O)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide?
The InChIKey is DPUMCBLTLNVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h1,8-9H,4-6H2,2H3,(H,10,11).
What are the key properties of N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide?
N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide is sourced from PubChem (CID 131019437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).