N-ethyl-2-methylidenehexanamide

C9H17NO — CID 140513535

IUPACN-ethyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyZZPOKLUSZNSKBV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-ethyl-2-methylidenehexanamide

N-ethyl-2-methylidenehexanamide (PubChem CID 140513535) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-2-methylidenehexanamide.

Molecular Properties

Compound NameN-ethyl-2-methylidenehexanamide
PubChem CID140513535
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyZZPOKLUSZNSKBV-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-2-methylidenehexanehydrazide
CID 87503884
N-chloro-2-methylidenehexanamide
CID 91615542
methyl 3-(2-methylideneheptanoylamino)propanoate
CID 88797373
N',N'-diethyl-2-methylidenehexanehydrazide
CID 150323112
2-methylidenehexanoic acid;zinc
CID 174824467
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
3,4-dimethylideneoctan-2-one
CID 143941758
N-ethyl-2-fluoroprop-2-enamide
CID 138502811
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylidenehexanamide?
The IUPAC name of N-ethyl-2-methylidenehexanamide (CID 140513535) is N-ethyl-2-methylidenehexanamide.
What is the SMILES notation for N-ethyl-2-methylidenehexanamide?
The canonical SMILES for N-ethyl-2-methylidenehexanamide is C=C(CCCC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-methylidenehexanamide?
The InChIKey is ZZPOKLUSZNSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-2-methylidenehexanamide?
N-ethyl-2-methylidenehexanamide 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-ethyl-2-methylidenehexanamide is sourced from PubChem (CID 140513535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).