(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide

C10H17NO3 — CID 52916723

IUPAC(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO3/c1-11(2)10(14)4-3-7-5-8(12)9(13)6-7/h3-4,7-9,12-13H,5-6H2,1-2H3/b4-3+/t7?,8-,9+
InChIKeyJKAUNQDOSYCYLD-KWKLZRKESA-N
MW199.25 g/mol
LogP-0.24
Rot. Bonds2

About (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide

(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide (PubChem CID 52916723) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide
PubChem CID52916723
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO3/c1-11(2)10(14)4-3-7-5-8(12)9(13)6-7/h3-4,7-9,12-13H,5-6H2,1-2H3/b4-3+/t7?,8-,9+
InChIKeyJKAUNQDOSYCYLD-KWKLZRKESA-N
XLogP-0.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide (CID 52916723) is (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide?
The InChIKey is JKAUNQDOSYCYLD-KWKLZRKESA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(2)10(14)4-3-7-5-8(12)9(13)6-7/h3-4,7-9,12-13H,5-6H2,1-2H3/b4-3+/t7?,8-,9+.
What are the key properties of (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide?
(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 52916723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).