3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide

C10H14N2O2 — CID 169183444

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide
SMILESNC(=O)C#CC1CCC2COCCN12
InChIInChI=1S/C10H14N2O2/c11-10(13)4-3-8-1-2-9-7-14-6-5-12(8)9/h8-9H,1-2,5-7H2,(H2,11,13)
InChIKeyOITUFIYDRFDSAF-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.66
Rot. Bonds

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide (PubChem CID 169183444) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide
PubChem CID169183444
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide
SMILESNC(=O)C#CC1CCC2COCCN12
InChIInChI=1S/C10H14N2O2/c11-10(13)4-3-8-1-2-9-7-14-6-5-12(8)9/h8-9H,1-2,5-7H2,(H2,11,13)
InChIKeyOITUFIYDRFDSAF-UHFFFAOYSA-N
XLogP-0.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)-4-methylpent-1-yn-3-one
CID 156736615
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
4-(3-aminocyclopentyl)morpholine-3-carboxamide
CID 83095575
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
CID 177330814
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
4-(3-oxocyclopentyl)morpholine-3-carboxamide
CID 83096407
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
CID 170768487
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
4-(4-aminocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83103910
4-(2-cyanocycloheptyl)morpholine-3-carboxamide
CID 83102320
1-(oxan-3-yl)pyrrolidine-2-carbothioamide
CID 107134702
4-[2-(aminomethyl)cyclopentyl]morpholine-3-carboxamide
CID 83101214

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide (CID 169183444) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide is NC(=O)C#CC1CCC2COCCN12.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide?
The InChIKey is OITUFIYDRFDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-10(13)4-3-8-1-2-9-7-14-6-5-12(8)9/h8-9H,1-2,5-7H2,(H2,11,13).
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide has a molecular weight of 194.23 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)prop-2-ynamide is sourced from PubChem (CID 169183444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).