hept-2-enamide

C7H13NO — CID 54092131

IUPAChept-2-enamide
SMILESCCCCC=CC(N)=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)
InChIKeyMUPFCCVZEUACLO-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.22
Rot. Bonds4

About hept-2-enamide

hept-2-enamide (PubChem CID 54092131) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is hept-2-enamide.

Molecular Properties

Compound Namehept-2-enamide
PubChem CID54092131
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namehept-2-enamide
SMILESCCCCC=CC(N)=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)
InChIKeyMUPFCCVZEUACLO-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

e,e-2,4-Octadienamide
CID 20157327
trans 2-Nonenoic acid amide
CID 5462886
cis-2-Pentenoic acid amide
CID 6432143
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 5275515
(E)-3,7-dimethylocta-2,6-dienamide
CID 21910777
(e)-2-Decenamide
CID 15178387
4-Ethylhexa-2,4-dienamide
CID 146360
FR 900411
CID 6439896
trans-2,4-Decadi-enamide
CID 19812070
Deca-2,4-dienamide
CID 53786362
Octa-2,4-dienamide
CID 73664437
(2E,4Z)-Deca-2,4-dienamide
CID 87184515

Frequently Asked Questions

What is the IUPAC name of hept-2-enamide?
The IUPAC name of hept-2-enamide (CID 54092131) is hept-2-enamide.
What is the SMILES notation for hept-2-enamide?
The canonical SMILES for hept-2-enamide is CCCCC=CC(N)=O.
What is the InChIKey of hept-2-enamide?
The InChIKey is MUPFCCVZEUACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H2,8,9).
What are the key properties of hept-2-enamide?
hept-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-enamide is sourced from PubChem (CID 54092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).