N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide

C6H10N2O — CID 162431812

IUPACN-[[(Z)-but-2-en-2-yl]iminomethyl]formamide
SMILESC/C=C(C)\N=C\NC=O
InChIInChI=1S/C6H10N2O/c1-3-6(2)8-4-7-5-9/h3-5H,1-2H3,(H,7,8,9)/b6-3-
InChIKeyOUWREDRKDDOKCA-UTCJRWHESA-N
MW126.16 g/mol
LogP0.68
Rot. Bonds3

About N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide

N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide (PubChem CID 162431812) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide.

Molecular Properties

Compound NameN-[[(Z)-but-2-en-2-yl]iminomethyl]formamide
PubChem CID162431812
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[[(Z)-but-2-en-2-yl]iminomethyl]formamide
SMILESC/C=C(C)\N=C\NC=O
InChIInChI=1S/C6H10N2O/c1-3-6(2)8-4-7-5-9/h3-5H,1-2H3,(H,7,8,9)/b6-3-
InChIKeyOUWREDRKDDOKCA-UTCJRWHESA-N
XLogP0.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide?
The IUPAC name of N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide (CID 162431812) is N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide.
What is the SMILES notation for N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide?
The canonical SMILES for N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide is C/C=C(C)\N=C\NC=O.
What is the InChIKey of N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide?
The InChIKey is OUWREDRKDDOKCA-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-6(2)8-4-7-5-9/h3-5H,1-2H3,(H,7,8,9)/b6-3-.
What are the key properties of N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide?
N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide has a molecular weight of 126.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide is sourced from PubChem (CID 162431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).