N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide

C14H21NO — CID 11218269

IUPACN-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide
SMILESC=CCCC(=O)N(C#CC)CCC/C=C/C
InChIInChI=1S/C14H21NO/c1-4-7-9-10-13-15(12-6-3)14(16)11-8-5-2/h4-5,7H,2,8-11,13H2,1,3H3/b7-4+
InChIKeyLXKJFSXORCBPEY-QPJJXVBHSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds7

About N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide

N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide (PubChem CID 11218269) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide.

Molecular Properties

Compound NameN-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide
PubChem CID11218269
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide
SMILESC=CCCC(=O)N(C#CC)CCC/C=C/C
InChIInChI=1S/C14H21NO/c1-4-7-9-10-13-15(12-6-3)14(16)11-8-5-2/h4-5,7H,2,8-11,13H2,1,3H3/b7-4+
InChIKeyLXKJFSXORCBPEY-QPJJXVBHSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide?
The IUPAC name of N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide (CID 11218269) is N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide.
What is the SMILES notation for N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide?
The canonical SMILES for N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide is C=CCCC(=O)N(C#CC)CCC/C=C/C.
What is the InChIKey of N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide?
The InChIKey is LXKJFSXORCBPEY-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-9-10-13-15(12-6-3)14(16)11-8-5-2/h4-5,7H,2,8-11,13H2,1,3H3/b7-4+.
What are the key properties of N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide?
N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide has a molecular weight of 219.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide is sourced from PubChem (CID 11218269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).