1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine

C12H17NO — CID 142827647

IUPAC1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine
SMILESC=CC1=C(C(=C)N)CC(OCC)=CC1
InChIInChI=1S/C12H17NO/c1-4-10-6-7-11(14-5-2)8-12(10)9(3)13/h4,7H,1,3,5-6,8,13H2,2H3
InChIKeyYBNVYJCEGNHUJL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine

1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine (PubChem CID 142827647) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine.

Molecular Properties

Compound Name1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine
PubChem CID142827647
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine
SMILESC=CC1=C(C(=C)N)CC(OCC)=CC1
InChIInChI=1S/C12H17NO/c1-4-10-6-7-11(14-5-2)8-12(10)9(3)13/h4,7H,1,3,5-6,8,13H2,2H3
InChIKeyYBNVYJCEGNHUJL-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine?
The IUPAC name of 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine (CID 142827647) is 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine.
What is the SMILES notation for 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine?
The canonical SMILES for 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine is C=CC1=C(C(=C)N)CC(OCC)=CC1.
What is the InChIKey of 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine?
The InChIKey is YBNVYJCEGNHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-6-7-11(14-5-2)8-12(10)9(3)13/h4,7H,1,3,5-6,8,13H2,2H3.
What are the key properties of 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine?
1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine has a molecular weight of 191.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-5-ethoxycyclohexa-1,4-dien-1-yl)ethenamine is sourced from PubChem (CID 142827647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).