N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide

C9H14N2O — CID 143560236

IUPACN-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
SMILESC=C/C(=C\N=C)CN(C)C(C)=O
InChIInChI=1S/C9H14N2O/c1-5-9(6-10-3)7-11(4)8(2)12/h5-6H,1,3,7H2,2,4H3/b9-6+
InChIKeyWERORONANLUOTF-RMKNXTFCSA-N
MW166.22 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide

N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide (PubChem CID 143560236) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
PubChem CID143560236
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
SMILESC=C/C(=C\N=C)CN(C)C(C)=O
InChIInChI=1S/C9H14N2O/c1-5-9(6-10-3)7-11(4)8(2)12/h5-6H,1,3,7H2,2,4H3/b9-6+
InChIKeyWERORONANLUOTF-RMKNXTFCSA-N
XLogP1.24
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
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-ethyl-N-(2-methylidenebut-3-enyl)acetamide
CID 134177643
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
N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
CID 163956379
N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432446

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide?
The IUPAC name of N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide (CID 143560236) is N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide?
The canonical SMILES for N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide is C=C/C(=C\N=C)CN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide?
The InChIKey is WERORONANLUOTF-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-9(6-10-3)7-11(4)8(2)12/h5-6H,1,3,7H2,2,4H3/b9-6+.
What are the key properties of N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide?
N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide is sourced from PubChem (CID 143560236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).