2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine

C9H16ClNO2 — CID 106439146

IUPAC2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine
SMILESCC(=CCl)COCC1CNCCO1
InChIInChI=1S/C9H16ClNO2/c1-8(4-10)6-12-7-9-5-11-2-3-13-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyQSUOYVPMFBBGIT-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.13
Rot. Bonds4

About 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine

2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine (PubChem CID 106439146) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine
PubChem CID106439146
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine
SMILESCC(=CCl)COCC1CNCCO1
InChIInChI=1S/C9H16ClNO2/c1-8(4-10)6-12-7-9-5-11-2-3-13-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyQSUOYVPMFBBGIT-UHFFFAOYSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
(2R)-2-(cyclopropylmethoxymethyl)morpholine
CID 95369053
2-(2-propoxyethoxymethyl)morpholine
CID 64534869
N-(3-methylbutan-2-yl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468689
2-(morpholin-2-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 114468321
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233
N-(cyclopropylmethyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468528
1-morpholin-4-yl-2-(morpholin-2-ylmethoxy)ethanone
CID 114468308
2-(2,2,2-trifluoroethoxymethyl)morpholine
CID 64532651
N-ethyl-3-(morpholin-2-ylmethoxy)propanamide
CID 114468828
N-(3-methoxypropyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468751

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine (CID 106439146) is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine is CC(=CCl)COCC1CNCCO1.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine?
The InChIKey is QSUOYVPMFBBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-8(4-10)6-12-7-9-5-11-2-3-13-9/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine?
2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine has a molecular weight of 205.68 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine is sourced from PubChem (CID 106439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).