5,7,7-trimethyl-2-methylideneoctanamide

C12H23NO — CID 135222776

IUPAC5,7,7-trimethyl-2-methylideneoctanamide
SMILESC=C(CCC(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H23NO/c1-9(8-12(3,4)5)6-7-10(2)11(13)14/h9H,2,6-8H2,1,3-5H3,(H2,13,14)
InChIKeyNNHDLEZYCFEILU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.88
Rot. Bonds5

About 5,7,7-trimethyl-2-methylideneoctanamide

5,7,7-trimethyl-2-methylideneoctanamide (PubChem CID 135222776) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5,7,7-trimethyl-2-methylideneoctanamide.

Molecular Properties

Compound Name5,7,7-trimethyl-2-methylideneoctanamide
PubChem CID135222776
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5,7,7-trimethyl-2-methylideneoctanamide
SMILESC=C(CCC(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H23NO/c1-9(8-12(3,4)5)6-7-10(2)11(13)14/h9H,2,6-8H2,1,3-5H3,(H2,13,14)
InChIKeyNNHDLEZYCFEILU-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-2-methylideneoctanamide?
The IUPAC name of 5,7,7-trimethyl-2-methylideneoctanamide (CID 135222776) is 5,7,7-trimethyl-2-methylideneoctanamide.
What is the SMILES notation for 5,7,7-trimethyl-2-methylideneoctanamide?
The canonical SMILES for 5,7,7-trimethyl-2-methylideneoctanamide is C=C(CCC(C)CC(C)(C)C)C(N)=O.
What is the InChIKey of 5,7,7-trimethyl-2-methylideneoctanamide?
The InChIKey is NNHDLEZYCFEILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(8-12(3,4)5)6-7-10(2)11(13)14/h9H,2,6-8H2,1,3-5H3,(H2,13,14).
What are the key properties of 5,7,7-trimethyl-2-methylideneoctanamide?
5,7,7-trimethyl-2-methylideneoctanamide has a molecular weight of 197.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-2-methylideneoctanamide is sourced from PubChem (CID 135222776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).