ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone

C12H23NO2 — CID 143089401

IUPACethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone
SMILESCC.CC(=O)C1C2CCCOC2CN1C
InChIInChI=1S/C10H17NO2.C2H6/c1-7(12)10-8-4-3-5-13-9(8)6-11(10)2;1-2/h8-10H,3-6H2,1-2H3;1-2H3
InChIKeyBILJCHVZTPVBQN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds1

About ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone

ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone (PubChem CID 143089401) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone
PubChem CID143089401
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone
SMILESCC.CC(=O)C1C2CCCOC2CN1C
InChIInChI=1S/C10H17NO2.C2H6/c1-7(12)10-8-4-3-5-13-9(8)6-11(10)2;1-2/h8-10H,3-6H2,1-2H3;1-2H3
InChIKeyBILJCHVZTPVBQN-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone with MolForge

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Related Compounds

1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone
CID 58849992
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CID 142089656
oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
CID 122360122
2-oxabicyclo[4.2.0]octan-7-ylmethanol
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(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 163490746
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 120662194
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone?
The IUPAC name of ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone (CID 143089401) is ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone.
What is the SMILES notation for ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone?
The canonical SMILES for ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone is CC.CC(=O)C1C2CCCOC2CN1C.
What is the InChIKey of ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone?
The InChIKey is BILJCHVZTPVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c1-7(12)10-8-4-3-5-13-9(8)6-11(10)2;1-2/h8-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone?
ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone is sourced from PubChem (CID 143089401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).