4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine

C13H16N4O — CID 3780259

IUPAC4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine
SMILESC(=CN1CCOCC1)Cn1nnc2ccccc21
InChIInChI=1S/C13H16N4O/c1-2-5-13-12(4-1)14-15-17(13)7-3-6-16-8-10-18-11-9-16/h1-6H,7-11H2
InChIKeyNYNNOCVMAJATIQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.28
Rot. Bonds3

About 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine

4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine (PubChem CID 3780259) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine
PubChem CID3780259
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine
SMILESC(=CN1CCOCC1)Cn1nnc2ccccc21
InChIInChI=1S/C13H16N4O/c1-2-5-13-12(4-1)14-15-17(13)7-3-6-16-8-10-18-11-9-16/h1-6H,7-11H2
InChIKeyNYNNOCVMAJATIQ-UHFFFAOYSA-N
XLogP1.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 79626
CID 79626
CID 27939
CID 27939
CID 684169
CID 684169
CID 786302
CID 786302
CID 243414
CID 243414
CID 542390
CID 542390
CID 735660
CID 735660
CID 3708772
CID 3708772
CID 4401906
CID 4401906
CID 4639790
CID 4639790
CID 649399
CID 649399
CID 653134
CID 653134

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine?
The IUPAC name of 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine (CID 3780259) is 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine.
What is the SMILES notation for 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine?
The canonical SMILES for 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine is C(=CN1CCOCC1)Cn1nnc2ccccc21.
What is the InChIKey of 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine?
The InChIKey is NYNNOCVMAJATIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-5-13-12(4-1)14-15-17(13)7-3-6-16-8-10-18-11-9-16/h1-6H,7-11H2.
What are the key properties of 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine?
4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzotriazol-1-yl)prop-1-enyl]morpholine is sourced from PubChem (CID 3780259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).