(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide

C9H16N2O2 — CID 131237542

IUPAC(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide
SMILESNC/C=C/C(=O)NC1CCCC1O
InChIInChI=1S/C9H16N2O2/c10-6-2-5-9(13)11-7-3-1-4-8(7)12/h2,5,7-8,12H,1,3-4,6,10H2,(H,11,13)/b5-2+
InChIKeyDMRMRJYUEDRAQJ-GORDUTHDSA-N
MW184.24 g/mol
LogP-0.47
Rot. Bonds3

About (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide

(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide (PubChem CID 131237542) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide
PubChem CID131237542
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide
SMILESNC/C=C/C(=O)NC1CCCC1O
InChIInChI=1S/C9H16N2O2/c10-6-2-5-9(13)11-7-3-1-4-8(7)12/h2,5,7-8,12H,1,3-4,6,10H2,(H,11,13)/b5-2+
InChIKeyDMRMRJYUEDRAQJ-GORDUTHDSA-N
XLogP-0.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide?
The IUPAC name of (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide (CID 131237542) is (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide?
The canonical SMILES for (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide is NC/C=C/C(=O)NC1CCCC1O.
What is the InChIKey of (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide?
The InChIKey is DMRMRJYUEDRAQJ-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-2-5-9(13)11-7-3-1-4-8(7)12/h2,5,7-8,12H,1,3-4,6,10H2,(H,11,13)/b5-2+.
What are the key properties of (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide?
(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide is sourced from PubChem (CID 131237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).