(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol

C11H17NO2 — CID 69080264

IUPAC(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol
SMILESCCOC1=CCC(/C(N)=C(\C)O)C=C1
InChIInChI=1S/C11H17NO2/c1-3-14-10-6-4-9(5-7-10)11(12)8(2)13/h4,6-7,9,13H,3,5,12H2,1-2H3/b11-8-
InChIKeyQPSYBFHOUCHBSV-FLIBITNWSA-N
MW195.26 g/mol
LogP2.23
Rot. Bonds3

About (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol

(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol (PubChem CID 69080264) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol
PubChem CID69080264
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol
SMILESCCOC1=CCC(/C(N)=C(\C)O)C=C1
InChIInChI=1S/C11H17NO2/c1-3-14-10-6-4-9(5-7-10)11(12)8(2)13/h4,6-7,9,13H,3,5,12H2,1-2H3/b11-8-
InChIKeyQPSYBFHOUCHBSV-FLIBITNWSA-N
XLogP2.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol
CID 126494281
(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
CID 142518700
But-1-ene;3-(1-ethoxyethoxy)-6-methylcyclohexa-1,3-dien-1-amine
CID 144371570
2-(3-Methoxypropoxy)-4-methylcyclohexa-1,3-dien-1-amine
CID 144761137
2-But-3-enoxy-4-methoxycyclohexa-1,3-dien-1-amine
CID 176945281
(6E)-8-ethoxy-5-methylnona-1,6,8-trien-2-amine
CID 142954980

Frequently Asked Questions

What is the IUPAC name of (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol?
The IUPAC name of (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol (CID 69080264) is (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol is CCOC1=CCC(/C(N)=C(\C)O)C=C1.
What is the InChIKey of (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol?
The InChIKey is QPSYBFHOUCHBSV-FLIBITNWSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-14-10-6-4-9(5-7-10)11(12)8(2)13/h4,6-7,9,13H,3,5,12H2,1-2H3/b11-8-.
What are the key properties of (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol?
(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol has a molecular weight of 195.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol is sourced from PubChem (CID 69080264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).