N-(but-2-enyliminomethyl)formamide

C6H10N2O — CID 123368785

IUPACN-(but-2-enyliminomethyl)formamide
SMILESCC=CC/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)
InChIKeyJBNLUYKPWGOPIP-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds4

About N-(but-2-enyliminomethyl)formamide

N-(but-2-enyliminomethyl)formamide (PubChem CID 123368785) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(but-2-enyliminomethyl)formamide.

Molecular Properties

Compound NameN-(but-2-enyliminomethyl)formamide
PubChem CID123368785
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(but-2-enyliminomethyl)formamide
SMILESCC=CC/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)
InChIKeyJBNLUYKPWGOPIP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(but-2-enyliminomethyl)formamide?
The IUPAC name of N-(but-2-enyliminomethyl)formamide (CID 123368785) is N-(but-2-enyliminomethyl)formamide.
What is the SMILES notation for N-(but-2-enyliminomethyl)formamide?
The canonical SMILES for N-(but-2-enyliminomethyl)formamide is CC=CC/N=C/NC=O.
What is the InChIKey of N-(but-2-enyliminomethyl)formamide?
The InChIKey is JBNLUYKPWGOPIP-UHFFFAOYSA-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).
What are the key properties of N-(but-2-enyliminomethyl)formamide?
N-(but-2-enyliminomethyl)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-(but-2-enyliminomethyl)formamide is sourced from PubChem (CID 123368785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).