2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

C8H15NO — CID 82418034

IUPAC2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC1CC2COCCC2N1
InChIInChI=1S/C8H15NO/c1-6-4-7-5-10-3-2-8(7)9-6/h6-9H,2-5H2,1H3
InChIKeyWZIBSLBANFMMLF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds

About 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (PubChem CID 82418034) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
PubChem CID82418034
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC1CC2COCCC2N1
InChIInChI=1S/C8H15NO/c1-6-4-7-5-10-3-2-8(7)9-6/h6-9H,2-5H2,1H3
InChIKeyWZIBSLBANFMMLF-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 58997733
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55298686
(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
CID 92794225
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227809
ethyl 2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine-3-carboxylate
CID 117272841
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
CID 170905962
2-methyl-4-(oxan-4-yl)piperidine
CID 106778946
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
(3S)-3-methyloxolane
CID 7857636
3-oxa-7-azabicyclo[4.1.1]octane
CID 118209795
tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
CID 83920436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The IUPAC name of 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (CID 82418034) is 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is CC1CC2COCCC2N1.
What is the InChIKey of 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The InChIKey is WZIBSLBANFMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-7-5-10-3-2-8(7)9-6/h6-9H,2-5H2,1H3.
What are the key properties of 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole has a molecular weight of 141.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 82418034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).