N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide

C10H15NO2 — CID 166480159

IUPACN-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide
SMILESC#CC[C@H]1OCCCC1NC(C)=O
InChIInChI=1S/C10H15NO2/c1-3-5-10-9(11-8(2)12)6-4-7-13-10/h1,9-10H,4-7H2,2H3,(H,11,12)/t9?,10-/m1/s1
InChIKeySPEXWPPZWRGOBF-QVDQXJPCSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds2

About N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide

N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide (PubChem CID 166480159) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide
PubChem CID166480159
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide
SMILESC#CC[C@H]1OCCCC1NC(C)=O
InChIInChI=1S/C10H15NO2/c1-3-5-10-9(11-8(2)12)6-4-7-13-10/h1,9-10H,4-7H2,2H3,(H,11,12)/t9?,10-/m1/s1
InChIKeySPEXWPPZWRGOBF-QVDQXJPCSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
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

N-[(1S,2S)-2-iodocyclopentyl]acetamide
CID 138652376
3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane
CID 88821575
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid
CID 122010680
N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
CID 10981236
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide
CID 131019437
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-(oxan-3-yl)acetamide
CID 55285282

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide (CID 166480159) is N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide is C#CC[C@H]1OCCCC1NC(C)=O.
What is the InChIKey of N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide?
The InChIKey is SPEXWPPZWRGOBF-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-10-9(11-8(2)12)6-4-7-13-10/h1,9-10H,4-7H2,2H3,(H,11,12)/t9?,10-/m1/s1.
What are the key properties of N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide?
N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide is sourced from PubChem (CID 166480159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).