N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide

C13H23NO2 — CID 143699686

IUPACN-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)/C(C)=C(/CC(C)C)C(C)=O
InChIInChI=1S/C13H23NO2/c1-7-13(16)14(6)10(4)12(11(5)15)8-9(2)3/h9H,7-8H2,1-6H3/b12-10-
InChIKeyFADJFHPVJRWUEX-BENRWUELSA-N
MW225.33 g/mol
LogP2.76
Rot. Bonds5

About N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide

N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide (PubChem CID 143699686) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide
PubChem CID143699686
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)/C(C)=C(/CC(C)C)C(C)=O
InChIInChI=1S/C13H23NO2/c1-7-13(16)14(6)10(4)12(11(5)15)8-9(2)3/h9H,7-8H2,1-6H3/b12-10-
InChIKeyFADJFHPVJRWUEX-BENRWUELSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide (CID 143699686) is N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide is CCC(=O)N(C)/C(C)=C(/CC(C)C)C(C)=O.
What is the InChIKey of N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide?
The InChIKey is FADJFHPVJRWUEX-BENRWUELSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-13(16)14(6)10(4)12(11(5)15)8-9(2)3/h9H,7-8H2,1-6H3/b12-10-.
What are the key properties of N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide?
N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide is sourced from PubChem (CID 143699686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).