N,N-dibutylprop-2-enamide

C11H21NO — CID 10419855

IUPACN,N-dibutylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCC
InChIInChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3
InChIKeyDLJMSHXCPBXOKX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds7

About N,N-dibutylprop-2-enamide

N,N-dibutylprop-2-enamide (PubChem CID 10419855) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,N-dibutylprop-2-enamide.

Molecular Properties

Compound NameN,N-dibutylprop-2-enamide
PubChem CID10419855
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,N-dibutylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCC
InChIInChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3
InChIKeyDLJMSHXCPBXOKX-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylprop-2-enamide?
The IUPAC name of N,N-dibutylprop-2-enamide (CID 10419855) is N,N-dibutylprop-2-enamide.
What is the SMILES notation for N,N-dibutylprop-2-enamide?
The canonical SMILES for N,N-dibutylprop-2-enamide is C=CC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylprop-2-enamide?
The InChIKey is DLJMSHXCPBXOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3.
What are the key properties of N,N-dibutylprop-2-enamide?
N,N-dibutylprop-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylprop-2-enamide is sourced from PubChem (CID 10419855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).