(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol

C10H19NO3 — CID 171813190

IUPAC(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
SMILESC/C=C\C(=O)NC=O.CC(C)CCO
InChIInChI=1S/C5H7NO2.C5H12O/c1-2-3-5(8)6-4-7;1-5(2)3-4-6/h2-4H,1H3,(H,6,7,8);5-6H,3-4H2,1-2H3/b3-2-;
InChIKeyYTGVWXKBZJKJFO-OLGQORCHSA-N
MW201.27 g/mol
LogP0.86
Rot. Bonds4

About (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol

(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol (PubChem CID 171813190) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol.

Molecular Properties

Compound Name(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
PubChem CID171813190
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
SMILESC/C=C\C(=O)NC=O.CC(C)CCO
InChIInChI=1S/C5H7NO2.C5H12O/c1-2-3-5(8)6-4-7;1-5(2)3-4-6/h2-4H,1H3,(H,6,7,8);5-6H,3-4H2,1-2H3/b3-2-;
InChIKeyYTGVWXKBZJKJFO-OLGQORCHSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formyl chloride;3-methylbutan-1-ol
CID 88598720
N-(7-methyloctyl)but-2-enamide
CID 112727082
4-amino-N-formylpentanamide
CID 143583899
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
(Z)-N-ethenylbut-2-enamide
CID 121258309
(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide
CID 65031695
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614

Frequently Asked Questions

What is the IUPAC name of (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol?
The IUPAC name of (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol (CID 171813190) is (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol.
What is the SMILES notation for (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol?
The canonical SMILES for (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol is C/C=C\C(=O)NC=O.CC(C)CCO.
What is the InChIKey of (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol?
The InChIKey is YTGVWXKBZJKJFO-OLGQORCHSA-N. The full InChI is InChI=1S/C5H7NO2.C5H12O/c1-2-3-5(8)6-4-7;1-5(2)3-4-6/h2-4H,1H3,(H,6,7,8);5-6H,3-4H2,1-2H3/b3-2-;.
What are the key properties of (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol?
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formylbut-2-enamide;3-methylbutan-1-ol is sourced from PubChem (CID 171813190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).