(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide

C9H17NO2 — CID 43500393

IUPAC(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCCO
InChIInChI=1S/C9H17NO2/c1-3-5-8(2)9(12)10-6-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12)/b8-5+
InChIKeyJVDGSTTYZRDLKU-VMPITWQZSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds5

About (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide

(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide (PubChem CID 43500393) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide
PubChem CID43500393
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCCO
InChIInChI=1S/C9H17NO2/c1-3-5-8(2)9(12)10-6-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12)/b8-5+
InChIKeyJVDGSTTYZRDLKU-VMPITWQZSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(S,E)-N-(1-hydroxypropan-2-yl)-2-methyldec-2-enamide
CID 177896835
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
CID 104857267
2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide
CID 145399724
N-(3-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 13531437
2-Pentenamide, 2-methyl-N-propyl-, (E)-
CID 14751175
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43417829
N-(3-hydroxypropyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 53823957
2-ethyl-N-(2-hydroxypropyl)but-2-enamide
CID 54085350
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 54423907
N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 54543610
N-(1-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 57195044

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide (CID 43500393) is (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NCCCO.
What is the InChIKey of (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide?
The InChIKey is JVDGSTTYZRDLKU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-8(2)9(12)10-6-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12)/b8-5+.
What are the key properties of (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide?
(E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)-2-methylpent-2-enamide is sourced from PubChem (CID 43500393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).