4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol

C15H21NO3 — CID 175582028

IUPAC4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
SMILESC=C(CCO)C(N)=O.OCCC=Cc1ccccc1
InChIInChI=1S/C10H12O.C5H9NO2/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(2-3-7)5(6)8/h1-4,6-8,11H,5,9H2;7H,1-3H2,(H2,6,8)
InChIKeyXQHYIXHTHHDYPK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds6

About 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol

4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol (PubChem CID 175582028) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
PubChem CID175582028
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
SMILESC=C(CCO)C(N)=O.OCCC=Cc1ccccc1
InChIInChI=1S/C10H12O.C5H9NO2/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(2-3-7)5(6)8/h1-4,6-8,11H,5,9H2;7H,1-3H2,(H2,6,8)
InChIKeyXQHYIXHTHHDYPK-UHFFFAOYSA-N
XLogP1.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-phenylpent-4-enoic acid
CID 5370650
3-hydroxypropanoyl chloride;5-phenylpent-4-en-1-amine
CID 173369004
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
2-methylidene-4-oxo-6-phenylhex-5-enamide
CID 141273751
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
3-[4-(4-hydroxybut-1-enyl)phenyl]propanoic acid
CID 170477084
(E)-9-phenylnon-8-en-1-ol
CID 10489025
7-phenylhept-6-en-2-one
CID 582607
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
2-methylprop-2-enamide;2-phenylethenesulfonic acid
CID 146593099
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol?
The IUPAC name of 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol (CID 175582028) is 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol.
What is the SMILES notation for 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol?
The canonical SMILES for 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol is C=C(CCO)C(N)=O.OCCC=Cc1ccccc1.
What is the InChIKey of 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol?
The InChIKey is XQHYIXHTHHDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C5H9NO2/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(2-3-7)5(6)8/h1-4,6-8,11H,5,9H2;7H,1-3H2,(H2,6,8).
What are the key properties of 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol?
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol has a molecular weight of 263.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol is sourced from PubChem (CID 175582028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).