(2S,3R)-2-methyl-4-methylideneoxolan-3-amine

C6H11NO — CID 143243344

IUPAC(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
SMILESC=C1CO[C@@H](C)[C@@H]1N
InChIInChI=1S/C6H11NO/c1-4-3-8-5(2)6(4)7/h5-6H,1,3,7H2,2H3/t5-,6+/m0/s1
InChIKeyGEWJUCDDPHRRIS-NTSWFWBYSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds

About (2S,3R)-2-methyl-4-methylideneoxolan-3-amine

(2S,3R)-2-methyl-4-methylideneoxolan-3-amine (PubChem CID 143243344) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2S,3R)-2-methyl-4-methylideneoxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
PubChem CID143243344
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
SMILESC=C1CO[C@@H](C)[C@@H]1N
InChIInChI=1S/C6H11NO/c1-4-3-8-5(2)6(4)7/h5-6H,1,3,7H2,2H3/t5-,6+/m0/s1
InChIKeyGEWJUCDDPHRRIS-NTSWFWBYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-(2R,3S)-2-ethenyloxolan-3-amine hydrochloride
CID 121552625
(2S,3R)-2-Vinyltetrahydrofuran-3-amine
CID 121552626
4-Methylideneoxolan-3-amine
CID 132398486
(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
CID 143243317
2-Ethenyloxolan-3-amine hydrochloride
CID 122236249
2-Ethenyloxolan-3-amine
CID 122236250
(2R,3S)-2-ethenyloxolan-3-amine hydrochloride
CID 122236300
(2R,3S)-2-Ethenyloxolan-3-amine
CID 122236301
(2R,3R)-2-Vinyltetrahydrofuran-3-amine
CID 124709598
(2S,3S)-2-Vinyltetrahydrofuran-3-amine
CID 124709599
4-Methylideneoxolan-3-amine hydrochloride
CID 136574694
(2S,3S)-2-Vinyltetrahydrofuran-3-amine hydrochloride
CID 155905538

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-4-methylideneoxolan-3-amine?
The IUPAC name of (2S,3R)-2-methyl-4-methylideneoxolan-3-amine (CID 143243344) is (2S,3R)-2-methyl-4-methylideneoxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-methyl-4-methylideneoxolan-3-amine?
The canonical SMILES for (2S,3R)-2-methyl-4-methylideneoxolan-3-amine is C=C1CO[C@@H](C)[C@@H]1N.
What is the InChIKey of (2S,3R)-2-methyl-4-methylideneoxolan-3-amine?
The InChIKey is GEWJUCDDPHRRIS-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-3-8-5(2)6(4)7/h5-6H,1,3,7H2,2H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-4-methylideneoxolan-3-amine?
(2S,3R)-2-methyl-4-methylideneoxolan-3-amine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-4-methylideneoxolan-3-amine is sourced from PubChem (CID 143243344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).