N-(3-methylidenepent-1-enyl)acetamide

C8H13NO — CID 123222904

IUPACN-(3-methylidenepent-1-enyl)acetamide
SMILESC=C(C=CNC(C)=O)CC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-9-8(3)10/h5-6H,2,4H2,1,3H3,(H,9,10)
InChIKeyFBTXHDJAFONPFM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds3

About N-(3-methylidenepent-1-enyl)acetamide

N-(3-methylidenepent-1-enyl)acetamide (PubChem CID 123222904) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(3-methylidenepent-1-enyl)acetamide.

Molecular Properties

Compound NameN-(3-methylidenepent-1-enyl)acetamide
PubChem CID123222904
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(3-methylidenepent-1-enyl)acetamide
SMILESC=C(C=CNC(C)=O)CC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-9-8(3)10/h5-6H,2,4H2,1,3H3,(H,9,10)
InChIKeyFBTXHDJAFONPFM-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-buta-1,3-dienyl]acetamide
CID 15836325
N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
CID 11499230
N-[(E)-hex-1-enyl]acetamide
CID 55288374
N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
CID 101347648
Butenyl acetamide
CID 54266102
N-isoprylacrylamide
CID 129821595
N-[(1Z)-buta-1,3-dienyl]acetamide
CID 15836324
N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
CID 55298868
N-[(1Z)-2-methylbuta-1,3-dienyl]prop-2-enamide
CID 129887971
N-[(Z)-(2-methylidenecyclohexylidene)methyl]acetamide
CID 135059981
N-[(1Z,5E)-hepta-1,5-dienyl]acetamide
CID 10329468
2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
CID 15836328

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenepent-1-enyl)acetamide?
The IUPAC name of N-(3-methylidenepent-1-enyl)acetamide (CID 123222904) is N-(3-methylidenepent-1-enyl)acetamide.
What is the SMILES notation for N-(3-methylidenepent-1-enyl)acetamide?
The canonical SMILES for N-(3-methylidenepent-1-enyl)acetamide is C=C(C=CNC(C)=O)CC.
What is the InChIKey of N-(3-methylidenepent-1-enyl)acetamide?
The InChIKey is FBTXHDJAFONPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(2)5-6-9-8(3)10/h5-6H,2,4H2,1,3H3,(H,9,10).
What are the key properties of N-(3-methylidenepent-1-enyl)acetamide?
N-(3-methylidenepent-1-enyl)acetamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenepent-1-enyl)acetamide is sourced from PubChem (CID 123222904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).