N-(3-methylidenehexyl)acetamide

C9H17NO — CID 59355406

IUPACN-(3-methylidenehexyl)acetamide
SMILESC=C(CCC)CCNC(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-8(2)6-7-10-9(3)11/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyUWJISOOIJJYHGB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-(3-methylidenehexyl)acetamide

N-(3-methylidenehexyl)acetamide (PubChem CID 59355406) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3-methylidenehexyl)acetamide.

Molecular Properties

Compound NameN-(3-methylidenehexyl)acetamide
PubChem CID59355406
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3-methylidenehexyl)acetamide
SMILESC=C(CCC)CCNC(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-8(2)6-7-10-9(3)11/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyUWJISOOIJJYHGB-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n-Hexylmethacrylamide
CID 20566085
N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 5226821
N-(4-methylpent-4-en-1-yl)prop-2-enamide
CID 129873430
N-(3-fluoro-5-methylidenecyclohexyl)acetamide
CID 90885330
N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
CID 138690569
N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide
CID 170121354
N-(5-cyclohexylidenepentyl)acetamide
CID 154717790
N-[2-(1-cyclohexenyl)ethyl]acetamide
CID 3610863
N-hex-5-enylacetamide
CID 10877209
N-octa-1,7-dien-3-ylacetamide
CID 11298173
N-(6-methylhept-6-en-2-yl)acetamide
CID 19865089
2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide
CID 20815877

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenehexyl)acetamide?
The IUPAC name of N-(3-methylidenehexyl)acetamide (CID 59355406) is N-(3-methylidenehexyl)acetamide.
What is the SMILES notation for N-(3-methylidenehexyl)acetamide?
The canonical SMILES for N-(3-methylidenehexyl)acetamide is C=C(CCC)CCNC(C)=O.
What is the InChIKey of N-(3-methylidenehexyl)acetamide?
The InChIKey is UWJISOOIJJYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-8(2)6-7-10-9(3)11/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of N-(3-methylidenehexyl)acetamide?
N-(3-methylidenehexyl)acetamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenehexyl)acetamide is sourced from PubChem (CID 59355406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).