(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide

C8H15NO2 — CID 87242208

IUPAC(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)/C(C)=C(\C)O
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(11)6(2)7(3)10/h10H,4-5H2,1-3H3,(H,9,11)/b7-6+
InChIKeyAOOXYIASCFJHBI-VOTSOKGWSA-N
MW157.21 g/mol
LogP1.36
Rot. Bonds3

About (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide

(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide (PubChem CID 87242208) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
PubChem CID87242208
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)/C(C)=C(\C)O
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(11)6(2)7(3)10/h10H,4-5H2,1-3H3,(H,9,11)/b7-6+
InChIKeyAOOXYIASCFJHBI-VOTSOKGWSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-propylbut-2-enamide
CID 77255889
(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
CID 87330833
2-oxo-N-propylpropanamide
CID 13291521
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
ethane;propylcarbamic acid
CID 155733503
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
3-amino-2-oxo-N-propylhexanamide
CID 88906277
2-methoxy-N-propylprop-2-enamide
CID 55287359
N-methylacetamide;N-propylacetamide
CID 160752156
(E)-4-cyano-2-methyl-N-propylpent-2-enamide
CID 140554466
N-methyl-2-methylidene-N'-propylpropanediamide
CID 102186954

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide (CID 87242208) is (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide is CCCNC(=O)/C(C)=C(\C)O.
What is the InChIKey of (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide?
The InChIKey is AOOXYIASCFJHBI-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-9-8(11)6(2)7(3)10/h10H,4-5H2,1-3H3,(H,9,11)/b7-6+.
What are the key properties of (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide?
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-methyl-N-propylbut-2-enamide is sourced from PubChem (CID 87242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).