1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone

C10H15NO2 — CID 23615895

IUPAC1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCCOC1=CCC(N)(C(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-3-13-9-4-6-10(11,7-5-9)8(2)12/h4-6H,3,7,11H2,1-2H3
InChIKeyYGDDHYMEJILHCM-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.15
Rot. Bonds3

About 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone

1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 23615895) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID23615895
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCCOC1=CCC(N)(C(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-3-13-9-4-6-10(11,7-5-9)8(2)12/h4-6H,3,7,11H2,1-2H3
InChIKeyYGDDHYMEJILHCM-UHFFFAOYSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

p-Acetylanisidine
CID 129724493
1-(1-Amino-4-methoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanone
CID 141532408
1-[1-Amino-4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]ethanone
CID 141094028
1-[1-Amino-4-(aminomethoxy)cyclohexa-2,4-dien-1-yl]ethanone
CID 152243972
3-(3-Amino-3-methylcyclohexa-1,5-dien-1-yl)oxybutan-2-one
CID 164139062
1-[1-Amino-4-(4-aminohepta-1,6-dien-4-yloxy)cyclohexa-2,4-dien-1-yl]ethanone
CID 174976344

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone (CID 23615895) is 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone is CCOC1=CCC(N)(C(C)=O)C=C1.
What is the InChIKey of 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is YGDDHYMEJILHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-9-4-6-10(11,7-5-9)8(2)12/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone?
1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 23615895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).