(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine

C9H17NO — CID 163986055

IUPAC(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CC(C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8(3)11-9(4)6-10/h8-9H,1,5-6H2,2-4H3/t8-,9?/m0/s1
InChIKeyTWLFALAHYDTTAP-IENPIDJESA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds1

About (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine

(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine (PubChem CID 163986055) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine
PubChem CID163986055
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CC(C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8(3)11-9(4)6-10/h8-9H,1,5-6H2,2-4H3/t8-,9?/m0/s1
InChIKeyTWLFALAHYDTTAP-IENPIDJESA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine?
The IUPAC name of (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine (CID 163986055) is (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine.
What is the SMILES notation for (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine?
The canonical SMILES for (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine is C=C(C)N1CC(C)O[C@@H](C)C1.
What is the InChIKey of (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine?
The InChIKey is TWLFALAHYDTTAP-IENPIDJESA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-5-8(3)11-9(4)6-10/h8-9H,1,5-6H2,2-4H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine?
(2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-dimethyl-4-prop-1-en-2-ylmorpholine is sourced from PubChem (CID 163986055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).