N-butyl-N-prop-1-en-2-ylformamide

C8H15NO — CID 150568848

IUPACN-butyl-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCCC
InChIInChI=1S/C8H15NO/c1-4-5-6-9(7-10)8(2)3/h7H,2,4-6H2,1,3H3
InChIKeyILKIRWAZEHIXNG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.78
Rot. Bonds5

About N-butyl-N-prop-1-en-2-ylformamide

N-butyl-N-prop-1-en-2-ylformamide (PubChem CID 150568848) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-butyl-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-butyl-N-prop-1-en-2-ylformamide
PubChem CID150568848
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-butyl-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCCC
InChIInChI=1S/C8H15NO/c1-4-5-6-9(7-10)8(2)3/h7H,2,4-6H2,1,3H3
InChIKeyILKIRWAZEHIXNG-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.78
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-butyl-N-prop-1-en-2-ylformamide?
The IUPAC name of N-butyl-N-prop-1-en-2-ylformamide (CID 150568848) is N-butyl-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-butyl-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-butyl-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)CCCC.
What is the InChIKey of N-butyl-N-prop-1-en-2-ylformamide?
The InChIKey is ILKIRWAZEHIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-9(7-10)8(2)3/h7H,2,4-6H2,1,3H3.
What are the key properties of N-butyl-N-prop-1-en-2-ylformamide?
N-butyl-N-prop-1-en-2-ylformamide has a molecular weight of 141.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 150568848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).