(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide

C12H23NO2 — CID 88887571

IUPAC(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
SMILESCCNC(=O)C/C=C/CC[C@@H](C)[C@H](C)O
InChIInChI=1S/C12H23NO2/c1-4-13-12(15)9-7-5-6-8-10(2)11(3)14/h5,7,10-11,14H,4,6,8-9H2,1-3H3,(H,13,15)/b7-5+/t10-,11+/m1/s1
InChIKeyDLONPNHMQHWMPR-HQVCXTMKSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide

(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide (PubChem CID 88887571) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide.

Molecular Properties

Compound Name(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
PubChem CID88887571
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
SMILESCCNC(=O)C/C=C/CC[C@@H](C)[C@H](C)O
InChIInChI=1S/C12H23NO2/c1-4-13-12(15)9-7-5-6-8-10(2)11(3)14/h5,7,10-11,14H,4,6,8-9H2,1-3H3,(H,13,15)/b7-5+/t10-,11+/m1/s1
InChIKeyDLONPNHMQHWMPR-HQVCXTMKSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-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,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The IUPAC name of (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide (CID 88887571) is (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide.
What is the SMILES notation for (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The canonical SMILES for (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide is CCNC(=O)C/C=C/CC[C@@H](C)[C@H](C)O.
What is the InChIKey of (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The InChIKey is DLONPNHMQHWMPR-HQVCXTMKSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13-12(15)9-7-5-6-8-10(2)11(3)14/h5,7,10-11,14H,4,6,8-9H2,1-3H3,(H,13,15)/b7-5+/t10-,11+/m1/s1.
What are the key properties of (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide is sourced from PubChem (CID 88887571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).