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

C7H13NO — CID 143243317

IUPAC(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
SMILESC=C1CO[C@@H](CC)[C@@H]1N
InChIInChI=1S/C7H13NO/c1-3-6-7(8)5(2)4-9-6/h6-7H,2-4,8H2,1H3/t6-,7+/m0/s1
InChIKeyALTFVAWFPXKGQJ-NKWVEPMBSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds1

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

(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine (PubChem CID 143243317) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
PubChem CID143243317
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
SMILESC=C1CO[C@@H](CC)[C@@H]1N
InChIInChI=1S/C7H13NO/c1-3-6-7(8)5(2)4-9-6/h6-7H,2-4,8H2,1H3/t6-,7+/m0/s1
InChIKeyALTFVAWFPXKGQJ-NKWVEPMBSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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

2-Methyl-5-methylideneoxan-3-amine
CID 91189473
(2R,3S)-2-methyl-5-methylideneoxan-3-amine
CID 129045574
2-(3-Methylideneoxolan-2-yl)ethanamine
CID 142619445
(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
CID 143243344
(2R)-2-methyl-5-methylideneoxan-3-amine
CID 143571364
(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine
CID 166691649
2-(Oxolan-2-yl)prop-2-en-1-amine
CID 117266327

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine?
The IUPAC name of (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine (CID 143243317) is (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine?
The canonical SMILES for (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine is C=C1CO[C@@H](CC)[C@@H]1N.
What is the InChIKey of (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine?
The InChIKey is ALTFVAWFPXKGQJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-7(8)5(2)4-9-6/h6-7H,2-4,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine?
(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-4-methylideneoxolan-3-amine is sourced from PubChem (CID 143243317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).