6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine

C5H9NO3 — CID 141171983

IUPAC6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine
SMILESNC12COCC1OCO2
InChIInChI=1S/C5H9NO3/c6-5-2-7-1-4(5)8-3-9-5/h4H,1-3,6H2
InChIKeyNUFNWXAVBVETJR-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.96
Rot. Bonds

About 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine

6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine (PubChem CID 141171983) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine.

Molecular Properties

Compound Name6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine
PubChem CID141171983
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine
SMILESNC12COCC1OCO2
InChIInChI=1S/C5H9NO3/c6-5-2-7-1-4(5)8-3-9-5/h4H,1-3,6H2
InChIKeyNUFNWXAVBVETJR-UHFFFAOYSA-N
XLogP-0.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran
CID 123499153
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
2,6,7-trioxabicyclo[2.2.2]octan-1-amine
CID 116986869
2,2-bis(oxiran-2-yl)oxirane
CID 88508066
5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
CID 167376330
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 71445982
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
5,5-dimethyl-3,8,9-trioxabicyclo[4.2.1]nonane
CID 550129
(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170915193
1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 122415434
N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66264505
2,5-dimethyl-1,3-dioxan-5-amine
CID 55290612

Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine?
The IUPAC name of 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine (CID 141171983) is 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine.
What is the SMILES notation for 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine?
The canonical SMILES for 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine is NC12COCC1OCO2.
What is the InChIKey of 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine?
The InChIKey is NUFNWXAVBVETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-5-2-7-1-4(5)8-3-9-5/h4H,1-3,6H2.
What are the key properties of 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine?
6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine has a molecular weight of 131.13 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-amine is sourced from PubChem (CID 141171983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).