(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide

C11H19NO3 — CID 10822479

IUPAC(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C11H19NO3/c1-12(15-2)11(14)5-3-4-9-6-7-10(13)8-9/h3,5,9-10,13H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1
InChIKeyHHCYCDKGMCLVBE-AEJJFCSLSA-N
MW213.28 g/mol
LogP1.11
Rot. Bonds4

About (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide

(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide (PubChem CID 10822479) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide
PubChem CID10822479
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C11H19NO3/c1-12(15-2)11(14)5-3-4-9-6-7-10(13)8-9/h3,5,9-10,13H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1
InChIKeyHHCYCDKGMCLVBE-AEJJFCSLSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]-N,N-dimethylprop-2-enamide
CID 52916723
(E)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 10035716
(E,4S,5S)-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
CID 10036225
(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 14947796
(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
CID 58883196
(2E)-4-(3-hydroxypropyl)-N-methoxy-N-methylhepta-2,6-dienamide
CID 10585407
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
CID 10683549
3-(3-Hydroxycyclopentyl)-N,N-dimethylacrylamide
CID 155905067

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide?
The IUPAC name of (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide (CID 10822479) is (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide is CON(C)C(=O)/C=C/C[C@@H]1CC[C@H](O)C1.
What is the InChIKey of (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide?
The InChIKey is HHCYCDKGMCLVBE-AEJJFCSLSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(15-2)11(14)5-3-4-9-6-7-10(13)8-9/h3,5,9-10,13H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1.
What are the key properties of (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide?
(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide is sourced from PubChem (CID 10822479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).