2,5-dimethylhept-2-enamide

C9H17NO — CID 140547183

IUPAC2,5-dimethylhept-2-enamide
SMILESCCC(C)CC=C(C)C(N)=O
InChIInChI=1S/C9H17NO/c1-4-7(2)5-6-8(3)9(10)11/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQSDMHCZFQPAHSU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds4

About 2,5-dimethylhept-2-enamide

2,5-dimethylhept-2-enamide (PubChem CID 140547183) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,5-dimethylhept-2-enamide.

Molecular Properties

Compound Name2,5-dimethylhept-2-enamide
PubChem CID140547183
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,5-dimethylhept-2-enamide
SMILESCCC(C)CC=C(C)C(N)=O
InChIInChI=1S/C9H17NO/c1-4-7(2)5-6-8(3)9(10)11/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQSDMHCZFQPAHSU-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
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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Related Compounds

(E)-5-ethyl-2-methylhept-2-enamide
CID 140867486
(E)-2-fluoro-5-methylhept-2-ene
CID 89043043
2-methylpent-2-enamide
CID 66895957
2,5-dimethylhept-2-ene;ethane
CID 144650208
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
2-methylhex-2-enamide;hydrochloride
CID 141109029
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
(Z)-4,7-dimethylnon-4-ene
CID 143531390
4-amino-2-methylhex-2-enamide
CID 73453875
2,4-dimethylhepta-2,4-dienamide
CID 90684610
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhept-2-enamide?
The IUPAC name of 2,5-dimethylhept-2-enamide (CID 140547183) is 2,5-dimethylhept-2-enamide.
What is the SMILES notation for 2,5-dimethylhept-2-enamide?
The canonical SMILES for 2,5-dimethylhept-2-enamide is CCC(C)CC=C(C)C(N)=O.
What is the InChIKey of 2,5-dimethylhept-2-enamide?
The InChIKey is QSDMHCZFQPAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7(2)5-6-8(3)9(10)11/h6-7H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 2,5-dimethylhept-2-enamide?
2,5-dimethylhept-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhept-2-enamide is sourced from PubChem (CID 140547183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).