(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide

C9H17NO2 — CID 134892530

IUPAC(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
SMILESC=C[C@@H](O)C[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)6-7(2)9(12)10(3)4/h5,7-8,11H,1,6H2,2-4H3/t7-,8+/m0/s1
InChIKeyLMPMYEBOSLDTHM-JGVFFNPUSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds4

About (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide

(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide (PubChem CID 134892530) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
PubChem CID134892530
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
SMILESC=C[C@@H](O)C[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)6-7(2)9(12)10(3)4/h5,7-8,11H,1,6H2,2-4H3/t7-,8+/m0/s1
InChIKeyLMPMYEBOSLDTHM-JGVFFNPUSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide?
The IUPAC name of (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide (CID 134892530) is (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide.
What is the SMILES notation for (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide?
The canonical SMILES for (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide is C=C[C@@H](O)C[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide?
The InChIKey is LMPMYEBOSLDTHM-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(11)6-7(2)9(12)10(3)4/h5,7-8,11H,1,6H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide?
(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide is sourced from PubChem (CID 134892530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).