N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide

C12H23NO2 — CID 88887575

IUPACN-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
SMILESCC(=O)NCC/C=C/CC[C@@H](C)[C@H](C)O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15)/b5-4+/t10-,11+/m1/s1
InChIKeyNZNCYCKWQULGRI-ZJRFNNFUSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide

N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide (PubChem CID 88887575) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
PubChem CID88887575
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
SMILESCC(=O)NCC/C=C/CC[C@@H](C)[C@H](C)O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15)/b5-4+/t10-,11+/m1/s1
InChIKeyNZNCYCKWQULGRI-ZJRFNNFUSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide?
The IUPAC name of N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide (CID 88887575) is N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide.
What is the SMILES notation for N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide?
The canonical SMILES for N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide is CC(=O)NCC/C=C/CC[C@@H](C)[C@H](C)O.
What is the InChIKey of N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide?
The InChIKey is NZNCYCKWQULGRI-ZJRFNNFUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15)/b5-4+/t10-,11+/m1/s1.
What are the key properties of N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide?
N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide 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 N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide is sourced from PubChem (CID 88887575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).