N-buta-2,3-dienylpentanamide

C9H15NO — CID 71475189

IUPACN-buta-2,3-dienylpentanamide
SMILESC=C=CCNC(=O)CCCC
InChIInChI=1S/C9H15NO/c1-3-5-7-9(11)10-8-6-4-2/h6H,2-3,5,7-8H2,1H3,(H,10,11)
InChIKeyNNNLOEOXANOUJW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.63
Rot. Bonds5

About N-buta-2,3-dienylpentanamide

N-buta-2,3-dienylpentanamide (PubChem CID 71475189) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-buta-2,3-dienylpentanamide.

Molecular Properties

Compound NameN-buta-2,3-dienylpentanamide
PubChem CID71475189
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-buta-2,3-dienylpentanamide
SMILESC=C=CCNC(=O)CCCC
InChIInChI=1S/C9H15NO/c1-3-5-7-9(11)10-8-6-4-2/h6H,2-3,5,7-8H2,1H3,(H,10,11)
InChIKeyNNNLOEOXANOUJW-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dienylpentanamide?
The IUPAC name of N-buta-2,3-dienylpentanamide (CID 71475189) is N-buta-2,3-dienylpentanamide.
What is the SMILES notation for N-buta-2,3-dienylpentanamide?
The canonical SMILES for N-buta-2,3-dienylpentanamide is C=C=CCNC(=O)CCCC.
What is the InChIKey of N-buta-2,3-dienylpentanamide?
The InChIKey is NNNLOEOXANOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-7-9(11)10-8-6-4-2/h6H,2-3,5,7-8H2,1H3,(H,10,11).
What are the key properties of N-buta-2,3-dienylpentanamide?
N-buta-2,3-dienylpentanamide has a molecular weight of 153.22 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dienylpentanamide is sourced from PubChem (CID 71475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).