N-[[(E)-but-2-enyl]iminomethyl]formamide

C6H10N2O — CID 89368755

IUPACN-[[(E)-but-2-enyl]iminomethyl]formamide
SMILESC/C=C/C/N=C/NC=O
InChIInChI=1S/C6H10N2O/c1-2-3-4-7-5-8-6-9/h2-3,5-6H,4H2,1H3,(H,7,8,9)/b3-2+
InChIKeyJBNLUYKPWGOPIP-NSCUHMNNSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds4

About N-[[(E)-but-2-enyl]iminomethyl]formamide

N-[[(E)-but-2-enyl]iminomethyl]formamide (PubChem CID 89368755) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[[(E)-but-2-enyl]iminomethyl]formamide.

Molecular Properties

Compound NameN-[[(E)-but-2-enyl]iminomethyl]formamide
PubChem CID89368755
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[[(E)-but-2-enyl]iminomethyl]formamide
SMILESC/C=C/C/N=C/NC=O
InChIInChI=1S/C6H10N2O/c1-2-3-4-7-5-8-6-9/h2-3,5-6H,4H2,1H3,(H,7,8,9)/b3-2+
InChIKeyJBNLUYKPWGOPIP-NSCUHMNNSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(but-2-enyliminomethyl)formamide
CID 123368785
N-[[(Z)-prop-1-enyl]iminomethyl]formamide
CID 145377941
N-[[(Z)-but-2-en-2-yl]iminomethyl]formamide
CID 162431812
1,3-Dimethyl-1-(prop-2-enyliminomethyl)urea
CID 11286591
N-[(E)-4-(diaminomethylideneamino)but-2-enyl]formamide
CID 141832043
N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
CID 143252203

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-but-2-enyl]iminomethyl]formamide?
The IUPAC name of N-[[(E)-but-2-enyl]iminomethyl]formamide (CID 89368755) is N-[[(E)-but-2-enyl]iminomethyl]formamide.
What is the SMILES notation for N-[[(E)-but-2-enyl]iminomethyl]formamide?
The canonical SMILES for N-[[(E)-but-2-enyl]iminomethyl]formamide is C/C=C/C/N=C/NC=O.
What is the InChIKey of N-[[(E)-but-2-enyl]iminomethyl]formamide?
The InChIKey is JBNLUYKPWGOPIP-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-4-7-5-8-6-9/h2-3,5-6H,4H2,1H3,(H,7,8,9)/b3-2+.
What are the key properties of N-[[(E)-but-2-enyl]iminomethyl]formamide?
N-[[(E)-but-2-enyl]iminomethyl]formamide has a molecular weight of 126.16 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-2-enyl]iminomethyl]formamide is sourced from PubChem (CID 89368755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).