4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine

C15H17NO — CID 58981680

IUPAC4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine
SMILESC=CC#Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C15H17NO/c1-2-3-5-14-6-4-7-15(12-14)13-16-8-10-17-11-9-16/h2,4,6-7,12H,1,8-11,13H2
InChIKeyMOHYGXKWJDOZQK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.06
Rot. Bonds2

About 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine

4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine (PubChem CID 58981680) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine
PubChem CID58981680
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine
SMILESC=CC#Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C15H17NO/c1-2-3-5-14-6-4-7-15(12-14)13-16-8-10-17-11-9-16/h2,4,6-7,12H,1,8-11,13H2
InChIKeyMOHYGXKWJDOZQK-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-yn-1-amine
CID 62973302
4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine
CID 20777024
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
CID 54183396

Frequently Asked Questions

What is the IUPAC name of 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine?
The IUPAC name of 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine (CID 58981680) is 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine is C=CC#Cc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine?
The InChIKey is MOHYGXKWJDOZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-5-14-6-4-7-15(12-14)13-16-8-10-17-11-9-16/h2,4,6-7,12H,1,8-11,13H2.
What are the key properties of 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine?
4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine has a molecular weight of 227.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine is sourced from PubChem (CID 58981680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).