4-hydroxy-2-methylundec-2-enamide

C12H23NO2 — CID 173114342

IUPAC4-hydroxy-2-methylundec-2-enamide
SMILESCCCCCCCC(O)C=C(C)C(N)=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-11(14)9-10(2)12(13)15/h9,11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyLCRMSPCAZCAMJH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.14
Rot. Bonds8

About 4-hydroxy-2-methylundec-2-enamide

4-hydroxy-2-methylundec-2-enamide (PubChem CID 173114342) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-hydroxy-2-methylundec-2-enamide.

Molecular Properties

Compound Name4-hydroxy-2-methylundec-2-enamide
PubChem CID173114342
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-hydroxy-2-methylundec-2-enamide
SMILESCCCCCCCC(O)C=C(C)C(N)=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-11(14)9-10(2)12(13)15/h9,11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyLCRMSPCAZCAMJH-UHFFFAOYSA-N
XLogP2.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylundec-2-enamide?
The IUPAC name of 4-hydroxy-2-methylundec-2-enamide (CID 173114342) is 4-hydroxy-2-methylundec-2-enamide.
What is the SMILES notation for 4-hydroxy-2-methylundec-2-enamide?
The canonical SMILES for 4-hydroxy-2-methylundec-2-enamide is CCCCCCCC(O)C=C(C)C(N)=O.
What is the InChIKey of 4-hydroxy-2-methylundec-2-enamide?
The InChIKey is LCRMSPCAZCAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-7-8-11(14)9-10(2)12(13)15/h9,11,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-hydroxy-2-methylundec-2-enamide?
4-hydroxy-2-methylundec-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylundec-2-enamide is sourced from PubChem (CID 173114342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).