2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one

C9H13NO — CID 59930689

IUPAC2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one
SMILESCCNC1=CCC(C)=CC1=O
InChIInChI=1S/C9H13NO/c1-3-10-8-5-4-7(2)6-9(8)11/h5-6,10H,3-4H2,1-2H3
InChIKeyDDUQACFYODSWGB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one

2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one (PubChem CID 59930689) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one
PubChem CID59930689
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one
SMILESCCNC1=CCC(C)=CC1=O
InChIInChI=1S/C9H13NO/c1-3-10-8-5-4-7(2)6-9(8)11/h5-6,10H,3-4H2,1-2H3
InChIKeyDDUQACFYODSWGB-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one (CID 59930689) is 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one is CCNC1=CCC(C)=CC1=O.
What is the InChIKey of 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one?
The InChIKey is DDUQACFYODSWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-10-8-5-4-7(2)6-9(8)11/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one?
2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 59930689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).