(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide

C9H15NO2 — CID 131231878

IUPAC(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide
SMILESCC/C=C/C(=O)N[C@@H]1CC[C@H]1O
InChIInChI=1S/C9H15NO2/c1-2-3-4-9(12)10-7-5-6-8(7)11/h3-4,7-8,11H,2,5-6H2,1H3,(H,10,12)/b4-3+/t7-,8-/m1/s1
InChIKeyJDEZHLOMRRSDLE-ATXJSMISSA-N
MW169.22 g/mol
LogP0.59
Rot. Bonds3

About (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide

(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide (PubChem CID 131231878) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide
PubChem CID131231878
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide
SMILESCC/C=C/C(=O)N[C@@H]1CC[C@H]1O
InChIInChI=1S/C9H15NO2/c1-2-3-4-9(12)10-7-5-6-8(7)11/h3-4,7-8,11H,2,5-6H2,1H3,(H,10,12)/b4-3+/t7-,8-/m1/s1
InChIKeyJDEZHLOMRRSDLE-ATXJSMISSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide?
The IUPAC name of (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide (CID 131231878) is (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide?
The canonical SMILES for (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide is CC/C=C/C(=O)N[C@@H]1CC[C@H]1O.
What is the InChIKey of (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide?
The InChIKey is JDEZHLOMRRSDLE-ATXJSMISSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-4-9(12)10-7-5-6-8(7)11/h3-4,7-8,11H,2,5-6H2,1H3,(H,10,12)/b4-3+/t7-,8-/m1/s1.
What are the key properties of (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide?
(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide is sourced from PubChem (CID 131231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).