N-but-1-en-2-yl-N-methylformamide

C6H11NO — CID 118907116

IUPACN-but-1-en-2-yl-N-methylformamide
SMILESC=C(CC)N(C)C=O
InChIInChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h5H,2,4H2,1,3H3
InChIKeyMTRZIWVEBGMIFE-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.00
Rot. Bonds3

About N-but-1-en-2-yl-N-methylformamide

N-but-1-en-2-yl-N-methylformamide (PubChem CID 118907116) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methylformamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-methylformamide
PubChem CID118907116
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-but-1-en-2-yl-N-methylformamide
SMILESC=C(CC)N(C)C=O
InChIInChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h5H,2,4H2,1,3H3
InChIKeyMTRZIWVEBGMIFE-UHFFFAOYSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methylformamide?
The IUPAC name of N-but-1-en-2-yl-N-methylformamide (CID 118907116) is N-but-1-en-2-yl-N-methylformamide.
What is the SMILES notation for N-but-1-en-2-yl-N-methylformamide?
The canonical SMILES for N-but-1-en-2-yl-N-methylformamide is C=C(CC)N(C)C=O.
What is the InChIKey of N-but-1-en-2-yl-N-methylformamide?
The InChIKey is MTRZIWVEBGMIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h5H,2,4H2,1,3H3.
What are the key properties of N-but-1-en-2-yl-N-methylformamide?
N-but-1-en-2-yl-N-methylformamide has a molecular weight of 113.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-methylformamide is sourced from PubChem (CID 118907116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).