N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide

C14H23NO2 — CID 178057982

IUPACN-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide
SMILESCC/C=C/C(=C\CCC)CC(NC=O)C(C)=O
InChIInChI=1S/C14H23NO2/c1-4-6-8-13(9-7-5-2)10-14(12(3)17)15-11-16/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,15,16)/b8-6+,13-9+
InChIKeyFDYAATJLOJQIIO-NRKDHPQSSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds9

About N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide

N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide (PubChem CID 178057982) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide
PubChem CID178057982
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide
SMILESCC/C=C/C(=C\CCC)CC(NC=O)C(C)=O
InChIInChI=1S/C14H23NO2/c1-4-6-8-13(9-7-5-2)10-14(12(3)17)15-11-16/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,15,16)/b8-6+,13-9+
InChIKeyFDYAATJLOJQIIO-NRKDHPQSSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide?
The IUPAC name of N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide (CID 178057982) is N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide.
What is the SMILES notation for N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide?
The canonical SMILES for N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide is CC/C=C/C(=C\CCC)CC(NC=O)C(C)=O.
What is the InChIKey of N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide?
The InChIKey is FDYAATJLOJQIIO-NRKDHPQSSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-8-13(9-7-5-2)10-14(12(3)17)15-11-16/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,15,16)/b8-6+,13-9+.
What are the key properties of N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide?
N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide has a molecular weight of 237.34 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide is sourced from PubChem (CID 178057982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).