(3R)-3-methyl-4-prop-2-ynylmorpholine

C8H13NO — CID 130636593

IUPAC(3R)-3-methyl-4-prop-2-ynylmorpholine
SMILESC#CCN1CCOC[C@H]1C
InChIInChI=1S/C8H13NO/c1-3-4-9-5-6-10-7-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyMHGFOSFOXACEJI-MRVPVSSYSA-N
MW139.20 g/mol
LogP0.34
Rot. Bonds1

About (3R)-3-methyl-4-prop-2-ynylmorpholine

(3R)-3-methyl-4-prop-2-ynylmorpholine (PubChem CID 130636593) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3R)-3-methyl-4-prop-2-ynylmorpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-prop-2-ynylmorpholine
PubChem CID130636593
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3R)-3-methyl-4-prop-2-ynylmorpholine
SMILESC#CCN1CCOC[C@H]1C
InChIInChI=1S/C8H13NO/c1-3-4-9-5-6-10-7-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyMHGFOSFOXACEJI-MRVPVSSYSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-prop-2-ynylmorpholine?
The IUPAC name of (3R)-3-methyl-4-prop-2-ynylmorpholine (CID 130636593) is (3R)-3-methyl-4-prop-2-ynylmorpholine.
What is the SMILES notation for (3R)-3-methyl-4-prop-2-ynylmorpholine?
The canonical SMILES for (3R)-3-methyl-4-prop-2-ynylmorpholine is C#CCN1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-4-prop-2-ynylmorpholine?
The InChIKey is MHGFOSFOXACEJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-9-5-6-10-7-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-4-prop-2-ynylmorpholine?
(3R)-3-methyl-4-prop-2-ynylmorpholine has a molecular weight of 139.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-prop-2-ynylmorpholine is sourced from PubChem (CID 130636593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).