7-(ethylamino)hept-5-yn-2-one

C9H15NO — CID 19817198

IUPAC7-(ethylamino)hept-5-yn-2-one
SMILESCCNCC#CCCC(C)=O
InChIInChI=1S/C9H15NO/c1-3-10-8-6-4-5-7-9(2)11/h10H,3,5,7-8H2,1-2H3
InChIKeyPSLFTYFMILGQJI-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds4

About 7-(ethylamino)hept-5-yn-2-one

7-(ethylamino)hept-5-yn-2-one (PubChem CID 19817198) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 7-(ethylamino)hept-5-yn-2-one.

Molecular Properties

Compound Name7-(ethylamino)hept-5-yn-2-one
PubChem CID19817198
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name7-(ethylamino)hept-5-yn-2-one
SMILESCCNCC#CCCC(C)=O
InChIInChI=1S/C9H15NO/c1-3-10-8-6-4-5-7-9(2)11/h10H,3,5,7-8H2,1-2H3
InChIKeyPSLFTYFMILGQJI-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)hept-5-yn-2-one?
The IUPAC name of 7-(ethylamino)hept-5-yn-2-one (CID 19817198) is 7-(ethylamino)hept-5-yn-2-one.
What is the SMILES notation for 7-(ethylamino)hept-5-yn-2-one?
The canonical SMILES for 7-(ethylamino)hept-5-yn-2-one is CCNCC#CCCC(C)=O.
What is the InChIKey of 7-(ethylamino)hept-5-yn-2-one?
The InChIKey is PSLFTYFMILGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-8-6-4-5-7-9(2)11/h10H,3,5,7-8H2,1-2H3.
What are the key properties of 7-(ethylamino)hept-5-yn-2-one?
7-(ethylamino)hept-5-yn-2-one has a molecular weight of 153.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)hept-5-yn-2-one is sourced from PubChem (CID 19817198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).