N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide

C10H15NO2 — CID 138967080

IUPACN-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
SMILESC=CC(=C)CC(NC(C)=O)C(C)=O
InChIInChI=1S/C10H15NO2/c1-5-7(2)6-10(8(3)12)11-9(4)13/h5,10H,1-2,6H2,3-4H3,(H,11,13)
InChIKeyTZLOTJSIFBOTCE-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds5

About N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide

N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide (PubChem CID 138967080) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
PubChem CID138967080
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
SMILESC=CC(=C)CC(NC(C)=O)C(C)=O
InChIInChI=1S/C10H15NO2/c1-5-7(2)6-10(8(3)12)11-9(4)13/h5,10H,1-2,6H2,3-4H3,(H,11,13)
InChIKeyTZLOTJSIFBOTCE-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-oxo-5-hexenyl)-
CID 533893
N-[(3S,5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]-2,2,2-trifluoroacetamide
CID 156751181
N-(1-Acetyl-but-3-enyl)-isobutyramide
CID 21949598
2,2-Dimethyl-N-(1-propionyl-but-3-enyl)-propionamide
CID 21949646
(6S,8Z,10Z,12S)-12-acetyl-8-ethenyl-10-ethylidene-3-methyl-6-(methylamino)-1,4-diazacyclododec-8-ene-2,5-dione
CID 53889198
N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide
CID 59539175
N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
CID 67814195
N-[(1R)-2-oxocyclopentyl]pent-4-enamide
CID 68251000
N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide
CID 88999723
N-[(3S)-2-oxohex-5-en-3-yl]propanamide
CID 89024810
N-but-3-en-2-yl-2-oxobutanamide
CID 89048137
N-(4-methyl-3-oxopent-4-en-2-yl)acetamide
CID 90895579

Frequently Asked Questions

What is the IUPAC name of N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide?
The IUPAC name of N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide (CID 138967080) is N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide.
What is the SMILES notation for N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide?
The canonical SMILES for N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide is C=CC(=C)CC(NC(C)=O)C(C)=O.
What is the InChIKey of N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide?
The InChIKey is TZLOTJSIFBOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-7(2)6-10(8(3)12)11-9(4)13/h5,10H,1-2,6H2,3-4H3,(H,11,13).
What are the key properties of N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide?
N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide is sourced from PubChem (CID 138967080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).