ethane;N-methyl-N-pent-4-enylacetamide

C10H21NO — CID 143214157

IUPACethane;N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(C)=O.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6-7-9(3)8(2)10;1-2/h4H,1,5-7H2,2-3H3;1-2H3
InChIKeySDZJMZAFNWJDSY-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.46
Rot. Bonds4

About ethane;N-methyl-N-pent-4-enylacetamide

ethane;N-methyl-N-pent-4-enylacetamide (PubChem CID 143214157) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;N-methyl-N-pent-4-enylacetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-pent-4-enylacetamide
PubChem CID143214157
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(C)=O.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6-7-9(3)8(2)10;1-2/h4H,1,5-7H2,2-3H3;1-2H3
InChIKeySDZJMZAFNWJDSY-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-butyl-N-methylacetamide;ethane
CID 142088805
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
N-pent-4-enyl-N-trimethylsilylacetamide
CID 10058602
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
ethane;N-methyl-N-octylacetamide
CID 142531459
1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
CID 115734605
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-pent-4-enylacetamide?
The IUPAC name of ethane;N-methyl-N-pent-4-enylacetamide (CID 143214157) is ethane;N-methyl-N-pent-4-enylacetamide.
What is the SMILES notation for ethane;N-methyl-N-pent-4-enylacetamide?
The canonical SMILES for ethane;N-methyl-N-pent-4-enylacetamide is C=CCCCN(C)C(C)=O.CC.
What is the InChIKey of ethane;N-methyl-N-pent-4-enylacetamide?
The InChIKey is SDZJMZAFNWJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-5-6-7-9(3)8(2)10;1-2/h4H,1,5-7H2,2-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-pent-4-enylacetamide?
ethane;N-methyl-N-pent-4-enylacetamide has a molecular weight of 171.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-pent-4-enylacetamide is sourced from PubChem (CID 143214157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).