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

C12H23NO2 — CID 123807803

IUPAC(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
SMILESCCNC(=O)CC=CCC[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)/t10-,11+/m1/s1
InChIKeyDLONPNHMQHWMPR-MNOVXSKESA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

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

(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide (PubChem CID 123807803) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide.

Molecular Properties

Compound Name(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
PubChem CID123807803
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
SMILESCCNC(=O)CC=CCC[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)/t10-,11+/m1/s1
InChIKeyDLONPNHMQHWMPR-MNOVXSKESA-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'}

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-enecarboxamide
CID 71796915
(3Z,5E,7Z,13E,15Z,17E)-10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
CID 57741093
6-hydroxy-N-propyloct-3-enamide
CID 58183383
(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 88887571
N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
CID 88887575
(7E,9R,10S,11R,12Z)-10-hydroxy-9-(hydroxymethyl)-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 89835386
N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 90783309
N-(8-hydroxy-7-methylnon-4-enyl)butanamide
CID 90893814
N-(8-hydroxy-7-methylnon-3-enyl)acetamide
CID 90930612
N-(11-hydroxy-10-methyldodec-7-enyl)acetamide
CID 91355114
8-hydroxy-7-methyl-N-propylnon-4-enamide
CID 91382711
10-Hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
CID 91500393

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The IUPAC name of (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide (CID 123807803) is (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide.
What is the SMILES notation for (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The canonical SMILES for (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide is CCNC(=O)CC=CCC[C@@H](C)[C@H](C)O.
What is the InChIKey of (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
The InChIKey is DLONPNHMQHWMPR-MNOVXSKESA-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)/t10-,11+/m1/s1.
What are the key properties of (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide?
(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 (7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide is sourced from PubChem (CID 123807803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).