(3R)-3-amino-6-methylideneoxan-2-one

C6H9NO2 — CID 11094626

IUPAC(3R)-3-amino-6-methylideneoxan-2-one
SMILESC=C1CC[C@@H](N)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(7)6(8)9-4/h5H,1-3,7H2/t5-/m1/s1
InChIKeyGIANOLJSQQYWHU-RXMQYKEDSA-N
MW127.14 g/mol
LogP0.16
Rot. Bonds

About (3R)-3-amino-6-methylideneoxan-2-one

(3R)-3-amino-6-methylideneoxan-2-one (PubChem CID 11094626) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R)-3-amino-6-methylideneoxan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-6-methylideneoxan-2-one
PubChem CID11094626
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R)-3-amino-6-methylideneoxan-2-one
SMILESC=C1CC[C@@H](N)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(7)6(8)9-4/h5H,1-3,7H2/t5-/m1/s1
InChIKeyGIANOLJSQQYWHU-RXMQYKEDSA-N
XLogP0.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-methylideneoxan-2-one?
The IUPAC name of (3R)-3-amino-6-methylideneoxan-2-one (CID 11094626) is (3R)-3-amino-6-methylideneoxan-2-one.
What is the SMILES notation for (3R)-3-amino-6-methylideneoxan-2-one?
The canonical SMILES for (3R)-3-amino-6-methylideneoxan-2-one is C=C1CC[C@@H](N)C(=O)O1.
What is the InChIKey of (3R)-3-amino-6-methylideneoxan-2-one?
The InChIKey is GIANOLJSQQYWHU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-2-3-5(7)6(8)9-4/h5H,1-3,7H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-6-methylideneoxan-2-one?
(3R)-3-amino-6-methylideneoxan-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-methylideneoxan-2-one is sourced from PubChem (CID 11094626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).