1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

C11H21NO — CID 130056901

IUPAC1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCCC1NCC2C1CCOC2(C)C
InChIInChI=1S/C11H21NO/c1-4-10-8-5-6-13-11(2,3)9(8)7-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyISZJARBMVHBBCG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds1

About 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (PubChem CID 130056901) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
PubChem CID130056901
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCCC1NCC2C1CCOC2(C)C
InChIInChI=1S/C11H21NO/c1-4-10-8-5-6-13-11(2,3)9(8)7-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyISZJARBMVHBBCG-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

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2,2,3,3,4-pentamethyloxane
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CID 15722713
1-[(2,2-dimethyloxolan-3-yl)amino]-2-methylpropan-2-ol
CID 130649838
N-butan-2-yl-2,2-dimethyloxolan-3-amine
CID 130870642
2-ethyl-3-(oxan-3-yl)pyrrolidine
CID 63739901
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CID 101089665
1-(2,2-dimethyloxolan-3-yl)-N-methylpropan-1-amine
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CID 105427056

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The IUPAC name of 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (CID 130056901) is 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.
What is the SMILES notation for 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The canonical SMILES for 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is CCC1NCC2C1CCOC2(C)C.
What is the InChIKey of 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The InChIKey is ISZJARBMVHBBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10-8-5-6-13-11(2,3)9(8)7-12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole has a molecular weight of 183.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is sourced from PubChem (CID 130056901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).