N-[(E)-2-methylbut-2-enyl]formamide

C6H11NO — CID 87382607

IUPACN-[(E)-2-methylbut-2-enyl]formamide
SMILESC/C=C(\C)CNC=O
InChIInChI=1S/C6H11NO/c1-3-6(2)4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8)/b6-3+
InChIKeyUIMHERUYFVDQHR-ZZXKWVIFSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About N-[(E)-2-methylbut-2-enyl]formamide

N-[(E)-2-methylbut-2-enyl]formamide (PubChem CID 87382607) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(E)-2-methylbut-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-methylbut-2-enyl]formamide
PubChem CID87382607
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(E)-2-methylbut-2-enyl]formamide
SMILESC/C=C(\C)CNC=O
InChIInChI=1S/C6H11NO/c1-3-6(2)4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8)/b6-3+
InChIKeyUIMHERUYFVDQHR-ZZXKWVIFSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-propenyl)formamide
CID 13521831
N-[(Z)-3-fluorobut-2-enyl]formamide
CID 124181093
[(E)-2-methylbut-2-enyl]urea
CID 20840837
N-(3-methylbut-2-enyl)formamide
CID 22998679
N-but-2-enylformamide
CID 53774272
N-(2,3-dimethylbut-2-enyl)formamide
CID 54068037
N-[(E)-but-2-enyl]formamide
CID 55286584
2-Methylbut-2-enylurea
CID 73718105
N-(2-cyanobut-2-enyl)formamide
CID 91153785
N-(2-methylbut-2-enyl)formamide
CID 91575305
N-(2-methylpent-2-enyl)formamide
CID 123382698
N-[(E)-2-iodobut-2-enyl]formamide
CID 124187268

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylbut-2-enyl]formamide?
The IUPAC name of N-[(E)-2-methylbut-2-enyl]formamide (CID 87382607) is N-[(E)-2-methylbut-2-enyl]formamide.
What is the SMILES notation for N-[(E)-2-methylbut-2-enyl]formamide?
The canonical SMILES for N-[(E)-2-methylbut-2-enyl]formamide is C/C=C(\C)CNC=O.
What is the InChIKey of N-[(E)-2-methylbut-2-enyl]formamide?
The InChIKey is UIMHERUYFVDQHR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(2)4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8)/b6-3+.
What are the key properties of N-[(E)-2-methylbut-2-enyl]formamide?
N-[(E)-2-methylbut-2-enyl]formamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylbut-2-enyl]formamide is sourced from PubChem (CID 87382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).