(3S)-2-methylideneoxolan-3-amine

C5H9NO — CID 146695810

IUPAC(3S)-2-methylideneoxolan-3-amine
SMILESC=C1OCC[C@@H]1N
InChIInChI=1S/C5H9NO/c1-4-5(6)2-3-7-4/h5H,1-3,6H2/t5-/m0/s1
InChIKeyQOSIVHMQWWHJRC-YFKPBYRVSA-N
MW99.13 g/mol
LogP0.25
Rot. Bonds

About (3S)-2-methylideneoxolan-3-amine

(3S)-2-methylideneoxolan-3-amine (PubChem CID 146695810) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (3S)-2-methylideneoxolan-3-amine.

Molecular Properties

Compound Name(3S)-2-methylideneoxolan-3-amine
PubChem CID146695810
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(3S)-2-methylideneoxolan-3-amine
SMILESC=C1OCC[C@@H]1N
InChIInChI=1S/C5H9NO/c1-4-5(6)2-3-7-4/h5H,1-3,6H2/t5-/m0/s1
InChIKeyQOSIVHMQWWHJRC-YFKPBYRVSA-N
XLogP0.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylideneoxolan-3-amine?
The IUPAC name of (3S)-2-methylideneoxolan-3-amine (CID 146695810) is (3S)-2-methylideneoxolan-3-amine.
What is the SMILES notation for (3S)-2-methylideneoxolan-3-amine?
The canonical SMILES for (3S)-2-methylideneoxolan-3-amine is C=C1OCC[C@@H]1N.
What is the InChIKey of (3S)-2-methylideneoxolan-3-amine?
The InChIKey is QOSIVHMQWWHJRC-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-5(6)2-3-7-4/h5H,1-3,6H2/t5-/m0/s1.
What are the key properties of (3S)-2-methylideneoxolan-3-amine?
(3S)-2-methylideneoxolan-3-amine has a molecular weight of 99.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylideneoxolan-3-amine is sourced from PubChem (CID 146695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).