(E)-10-hydroxy-9-methylundec-6-enamide

C12H23NO2 — CID 89100987

IUPAC(E)-10-hydroxy-9-methylundec-6-enamide
SMILESCC(O)C(C)C/C=C/CCCCC(N)=O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-3-5-7-9-12(13)15/h4,6,10-11,14H,3,5,7-9H2,1-2H3,(H2,13,15)/b6-4+
InChIKeyITPKPQRFFOTFAX-GQCTYLIASA-N
MW213.32 g/mol
LogP2.00
Rot. Bonds8

About (E)-10-hydroxy-9-methylundec-6-enamide

(E)-10-hydroxy-9-methylundec-6-enamide (PubChem CID 89100987) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-10-hydroxy-9-methylundec-6-enamide.

Molecular Properties

Compound Name(E)-10-hydroxy-9-methylundec-6-enamide
PubChem CID89100987
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-10-hydroxy-9-methylundec-6-enamide
SMILESCC(O)C(C)C/C=C/CCCCC(N)=O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-3-5-7-9-12(13)15/h4,6,10-11,14H,3,5,7-9H2,1-2H3,(H2,13,15)/b6-4+
InChIKeyITPKPQRFFOTFAX-GQCTYLIASA-N
XLogP2.00
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 ≤ 52.00
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 (E)-10-hydroxy-9-methylundec-6-enamide?
The IUPAC name of (E)-10-hydroxy-9-methylundec-6-enamide (CID 89100987) is (E)-10-hydroxy-9-methylundec-6-enamide.
What is the SMILES notation for (E)-10-hydroxy-9-methylundec-6-enamide?
The canonical SMILES for (E)-10-hydroxy-9-methylundec-6-enamide is CC(O)C(C)C/C=C/CCCCC(N)=O.
What is the InChIKey of (E)-10-hydroxy-9-methylundec-6-enamide?
The InChIKey is ITPKPQRFFOTFAX-GQCTYLIASA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-3-5-7-9-12(13)15/h4,6,10-11,14H,3,5,7-9H2,1-2H3,(H2,13,15)/b6-4+.
What are the key properties of (E)-10-hydroxy-9-methylundec-6-enamide?
(E)-10-hydroxy-9-methylundec-6-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-hydroxy-9-methylundec-6-enamide is sourced from PubChem (CID 89100987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).