N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide

C6H11N3O — CID 143252203

IUPACN-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
SMILESC/N=C/N/C=C/CNC=O
InChIInChI=1S/C6H11N3O/c1-7-5-8-3-2-4-9-6-10/h2-3,5-6H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyIDJVXEOHPAEXFD-NSCUHMNNSA-N
MW141.17 g/mol
LogP-0.51
Rot. Bonds5

About N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide

N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide (PubChem CID 143252203) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
PubChem CID143252203
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
SMILESC/N=C/N/C=C/CNC=O
InChIInChI=1S/C6H11N3O/c1-7-5-8-3-2-4-9-6-10/h2-3,5-6H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyIDJVXEOHPAEXFD-NSCUHMNNSA-N
XLogP-0.51
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide
CID 143252264
N-[(E)-3-bromoprop-2-enyl]formamide
CID 118928810
N-hex-2-enylformamide
CID 54372150
N-[(E)-hept-2-enyl]formamide
CID 87925184
N-[(2E,4E)-pentadeca-2,4-dienyl]formamide
CID 121306695
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
CID 142470512
(Z)-4-formamidobut-3-enoic acid
CID 15944664
acetaldehyde;N-[(E)-but-1-enyl]-N'-methylmethanimidamide;ethane;5-ethyl-3-methyl-2-propylphenol;methoxymethane
CID 143417042
2-(prop-1-enylamino)acetaldehyde
CID 173097369
N-(methylaminomethyl)formamide
CID 20608441
2-(methyliminomethylamino)acetamide
CID 143453568

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide?
The IUPAC name of N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide (CID 143252203) is N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide.
What is the SMILES notation for N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide?
The canonical SMILES for N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide is C/N=C/N/C=C/CNC=O.
What is the InChIKey of N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide?
The InChIKey is IDJVXEOHPAEXFD-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11N3O/c1-7-5-8-3-2-4-9-6-10/h2-3,5-6H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+.
What are the key properties of N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide?
N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide has a molecular weight of 141.17 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide is sourced from PubChem (CID 143252203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).