N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

C9H14N2O — CID 143571918

IUPACN-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-9(7-10-3)5-6-11-8(2)12/h4,7H,1,3,5-6H2,2H3,(H,11,12)/b9-7+
InChIKeyDMZBOGGHTGUNAG-VQHVLOKHSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds5

About N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (PubChem CID 143571918) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
PubChem CID143571918
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-9(7-10-3)5-6-11-8(2)12/h4,7H,1,3,5-6H2,2H3,(H,11,12)/b9-7+
InChIKeyDMZBOGGHTGUNAG-VQHVLOKHSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide
CID 89064249
N-ethyl-3-methylidenepent-4-enamide
CID 123381195
N-(4-methylidenehex-5-enyl)acetamide
CID 138533895
ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide
CID 142506487
N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]propanamide
CID 142817717
ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432445
(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-enamide
CID 144105627
(2E)-2-[(methylideneamino)methylidene]-N-propylbut-3-enamide
CID 144294326
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
CID 163258986
N-[(2S,3E)-3-[(methylideneamino)methylidene]pent-4-en-2-yl]propanamide;molecular hydrogen
CID 171523174
(2E)-2-[(methylideneamino)methylidene]-N-prop-2-enylbut-3-enamide
CID 178010414

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The IUPAC name of N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (CID 143571918) is N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.
What is the SMILES notation for N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The canonical SMILES for N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is C=C/C(=C\N=C)CCNC(C)=O.
What is the InChIKey of N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The InChIKey is DMZBOGGHTGUNAG-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-9(7-10-3)5-6-11-8(2)12/h4,7H,1,3,5-6H2,2H3,(H,11,12)/b9-7+.
What are the key properties of N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is sourced from PubChem (CID 143571918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).