(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole

C7H13NO — CID 96637802

IUPAC(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
SMILESC1CO[C@H]2CCN[C@H]2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyYNNRTZAVZSMDEH-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole

(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole (PubChem CID 96637802) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
PubChem CID96637802
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
SMILESC1CO[C@H]2CCN[C@H]2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyYNNRTZAVZSMDEH-BQBZGAKWSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole with MolForge

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Related Compounds

(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
7-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 43498454
(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane
CID 124709549
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
2-piperidin-2-yl-1,3-oxazinane;hydrochloride
CID 117225945
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
2-(oxiran-2-yl)oxolane
CID 18759351
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-oxa-6-azabicyclo[3.2.0]heptane
CID 18923028
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The IUPAC name of (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole (CID 96637802) is (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The canonical SMILES for (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole is C1CO[C@H]2CCN[C@H]2C1.
What is the InChIKey of (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The InChIKey is YNNRTZAVZSMDEH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole is sourced from PubChem (CID 96637802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).