2-(ethylamino)cyclohepta-2,4,6-trien-1-one

C9H11NO — CID 102374135

IUPAC2-(ethylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCNc1cccccc1=O
InChIInChI=1S/C9H11NO/c1-2-10-8-6-4-3-5-7-9(8)11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyNZBPTXWELXVAQN-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.48
Rot. Bonds2

About 2-(ethylamino)cyclohepta-2,4,6-trien-1-one

2-(ethylamino)cyclohepta-2,4,6-trien-1-one (PubChem CID 102374135) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(ethylamino)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(ethylamino)cyclohepta-2,4,6-trien-1-one
PubChem CID102374135
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(ethylamino)cyclohepta-2,4,6-trien-1-one
SMILESCCNc1cccccc1=O
InChIInChI=1S/C9H11NO/c1-2-10-8-6-4-3-5-7-9(8)11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyNZBPTXWELXVAQN-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(ethylamino)cyclohepta-2,4,6-trien-1-one (CID 102374135) is 2-(ethylamino)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(ethylamino)cyclohepta-2,4,6-trien-1-one is CCNc1cccccc1=O.
What is the InChIKey of 2-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The InChIKey is NZBPTXWELXVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-10-8-6-4-3-5-7-9(8)11/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of 2-(ethylamino)cyclohepta-2,4,6-trien-1-one?
2-(ethylamino)cyclohepta-2,4,6-trien-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 102374135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).