6-methylhept-2-enamide

C8H15NO — CID 130247366

IUPAC6-methylhept-2-enamide
SMILESCC(C)CCC=CC(N)=O
InChIInChI=1S/C8H15NO/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H2,9,10)
InChIKeyJMEMTUHDWFSITR-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds4

About 6-methylhept-2-enamide

6-methylhept-2-enamide (PubChem CID 130247366) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-methylhept-2-enamide.

Molecular Properties

Compound Name6-methylhept-2-enamide
PubChem CID130247366
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-methylhept-2-enamide
SMILESCC(C)CCC=CC(N)=O
InChIInChI=1S/C8H15NO/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H2,9,10)
InChIKeyJMEMTUHDWFSITR-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
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)-hex-2-enamide;hydrochloride
CID 141291310
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
(2Z)-nona-2,6-dienamide
CID 87394391
hept-2-enamide;dihydrochloride
CID 142841404
5-(methylamino)pent-2-enamide
CID 90151348
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
5-methylhex-1-en-1-amine
CID 87108942
(E)-6-amino-6-oxohex-4-enoic acid
CID 15250668
(Z)-non-2-enamide
CID 97047009
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
acetamide;hepta-2,5-dienediamide
CID 174662620
(E)-4-bromobut-2-enamide;ethane
CID 145199796

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-2-enamide?
The IUPAC name of 6-methylhept-2-enamide (CID 130247366) is 6-methylhept-2-enamide.
What is the SMILES notation for 6-methylhept-2-enamide?
The canonical SMILES for 6-methylhept-2-enamide is CC(C)CCC=CC(N)=O.
What is the InChIKey of 6-methylhept-2-enamide?
The InChIKey is JMEMTUHDWFSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H2,9,10).
What are the key properties of 6-methylhept-2-enamide?
6-methylhept-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-2-enamide is sourced from PubChem (CID 130247366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).