3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide

C9H16N2O2 — CID 59578352

IUPAC3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
SMILESC=CCC(N)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h2,6-8,12H,1,3-5,10H2,(H,11,13)
InChIKeyHXQSKUSSCFYXEU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.47
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide

3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide (PubChem CID 59578352) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
PubChem CID59578352
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
SMILESC=CCC(N)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h2,6-8,12H,1,3-5,10H2,(H,11,13)
InChIKeyHXQSKUSSCFYXEU-UHFFFAOYSA-N
XLogP-0.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119475517
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
CID 168976242
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 141016943
3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
CID 171058651
(2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
CID 118704811
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide (CID 59578352) is 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide is C=CCC(N)C(O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide?
The InChIKey is HXQSKUSSCFYXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h2,6-8,12H,1,3-5,10H2,(H,11,13).
What are the key properties of 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide?
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide is sourced from PubChem (CID 59578352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).