N-[(2R)-2-hydroxypropyl]but-3-enamide

C7H13NO2 — CID 83059459

IUPACN-[(2R)-2-hydroxypropyl]but-3-enamide
SMILESC=CCC(=O)NC[C@@H](C)O
InChIInChI=1S/C7H13NO2/c1-3-4-7(10)8-5-6(2)9/h3,6,9H,1,4-5H2,2H3,(H,8,10)/t6-/m1/s1
InChIKeyIVMGSDIDIRWOTN-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]but-3-enamide

N-[(2R)-2-hydroxypropyl]but-3-enamide (PubChem CID 83059459) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]but-3-enamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]but-3-enamide
PubChem CID83059459
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(2R)-2-hydroxypropyl]but-3-enamide
SMILESC=CCC(=O)NC[C@@H](C)O
InChIInChI=1S/C7H13NO2/c1-3-4-7(10)8-5-6(2)9/h3,6,9H,1,4-5H2,2H3,(H,8,10)/t6-/m1/s1
InChIKeyIVMGSDIDIRWOTN-ZCFIWIBFSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]but-3-enamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]but-3-enamide (CID 83059459) is N-[(2R)-2-hydroxypropyl]but-3-enamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]but-3-enamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]but-3-enamide is C=CCC(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]but-3-enamide?
The InChIKey is IVMGSDIDIRWOTN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-7(10)8-5-6(2)9/h3,6,9H,1,4-5H2,2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]but-3-enamide?
N-[(2R)-2-hydroxypropyl]but-3-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]but-3-enamide is sourced from PubChem (CID 83059459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).