azane;2-prop-2-enylmorpholine

C7H16N2O — CID 66693360

IUPACazane;2-prop-2-enylmorpholine
SMILESC=CCC1CNCCO1.N
InChIInChI=1S/C7H13NO.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3
InChIKeyZWFTTWBXEZFJOX-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.71
Rot. Bonds2

About azane;2-prop-2-enylmorpholine

azane;2-prop-2-enylmorpholine (PubChem CID 66693360) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is azane;2-prop-2-enylmorpholine.

Molecular Properties

Compound Nameazane;2-prop-2-enylmorpholine
PubChem CID66693360
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Nameazane;2-prop-2-enylmorpholine
SMILESC=CCC1CNCCO1.N
InChIInChI=1S/C7H13NO.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3
InChIKeyZWFTTWBXEZFJOX-UHFFFAOYSA-N
XLogP0.71
TPSA56.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylmorpholine
CID 20536842
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-(3-methoxyprop-2-enyl)morpholine
CID 70497061
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819
[(2R)-morpholin-2-yl]methanol;hydrochloride
CID 42614735
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
ethane;3-morpholin-2-ylpropanal
CID 142839724
(2R)-2-[(E)-pent-3-enyl]morpholine
CID 130456713
1-morpholin-2-ylbutan-2-ol
CID 57136466
2-(cyclopentylmethyl)morpholine
CID 55278350

Frequently Asked Questions

What is the IUPAC name of azane;2-prop-2-enylmorpholine?
The IUPAC name of azane;2-prop-2-enylmorpholine (CID 66693360) is azane;2-prop-2-enylmorpholine.
What is the SMILES notation for azane;2-prop-2-enylmorpholine?
The canonical SMILES for azane;2-prop-2-enylmorpholine is C=CCC1CNCCO1.N.
What is the InChIKey of azane;2-prop-2-enylmorpholine?
The InChIKey is ZWFTTWBXEZFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3.
What are the key properties of azane;2-prop-2-enylmorpholine?
azane;2-prop-2-enylmorpholine has a molecular weight of 144.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-prop-2-enylmorpholine is sourced from PubChem (CID 66693360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).