N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide

C8H13N3O — CID 144904331

IUPACN-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide
SMILESC=N/C=C(\C=N\C)CNC(C)=O
InChIInChI=1S/C8H13N3O/c1-7(12)11-6-8(4-9-2)5-10-3/h4-5H,2,6H2,1,3H3,(H,11,12)/b8-4+,10-5+
InChIKeyBDCWDFDIWCBAND-DXNUHORPSA-N
MW167.21 g/mol
LogP0.41
Rot. Bonds4

About N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide

N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide (PubChem CID 144904331) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide
PubChem CID144904331
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide
SMILESC=N/C=C(\C=N\C)CNC(C)=O
InChIInChI=1S/C8H13N3O/c1-7(12)11-6-8(4-9-2)5-10-3/h4-5H,2,6H2,1,3H3,(H,11,12)/b8-4+,10-5+
InChIKeyBDCWDFDIWCBAND-DXNUHORPSA-N
XLogP0.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide
CID 129301502
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
N,2-dimethylprop-2-en-1-imine;ethane;N-ethenylacetamide
CID 144086800
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
CID 144946520
N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
CID 145408462
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
CID 147840228
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
N-[(Z)-3-amino-2-(methyliminomethyl)prop-2-enyl]-3-oxobutanamide
CID 156898889
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-3-oxobutanamide
CID 163612024
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]acetamide
CID 173681844

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide (CID 144904331) is N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide is C=N/C=C(\C=N\C)CNC(C)=O.
What is the InChIKey of N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide?
The InChIKey is BDCWDFDIWCBAND-DXNUHORPSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)11-6-8(4-9-2)5-10-3/h4-5H,2,6H2,1,3H3,(H,11,12)/b8-4+,10-5+.
What are the key properties of N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide?
N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide is sourced from PubChem (CID 144904331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).