N-(3-methylbut-2-enyl)formamide

C6H11NO — CID 22998679

IUPACN-(3-methylbut-2-enyl)formamide
SMILESCC(C)=CCNC=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8)
InChIKeyFOPAKCFWVFGOMA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About N-(3-methylbut-2-enyl)formamide

N-(3-methylbut-2-enyl)formamide (PubChem CID 22998679) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)formamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)formamide
PubChem CID22998679
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-(3-methylbut-2-enyl)formamide
SMILESCC(C)=CCNC=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8)
InChIKeyFOPAKCFWVFGOMA-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)formamide?
The IUPAC name of N-(3-methylbut-2-enyl)formamide (CID 22998679) is N-(3-methylbut-2-enyl)formamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)formamide?
The canonical SMILES for N-(3-methylbut-2-enyl)formamide is CC(C)=CCNC=O.
What is the InChIKey of N-(3-methylbut-2-enyl)formamide?
The InChIKey is FOPAKCFWVFGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-4-7-5-8/h3,5H,4H2,1-2H3,(H,7,8).
What are the key properties of N-(3-methylbut-2-enyl)formamide?
N-(3-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-(3-methylbut-2-enyl)formamide is sourced from PubChem (CID 22998679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).