(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine

C11H15NO — CID 89153922

IUPAC(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=CO/C(=C\C)C1=CC[C@@H](N)C=C1
InChIInChI=1S/C11H15NO/c1-3-11(13-4-2)9-5-7-10(12)8-6-9/h3-7,10H,2,8,12H2,1H3/b11-3-/t10-/m0/s1
InChIKeyJAYOAMSDBBOOLD-OQUCWDNSSA-N
MW177.25 g/mol
LogP2.26
Rot. Bonds3

About (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine

(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine (PubChem CID 89153922) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
PubChem CID89153922
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=CO/C(=C\C)C1=CC[C@@H](N)C=C1
InChIInChI=1S/C11H15NO/c1-3-11(13-4-2)9-5-7-10(12)8-6-9/h3-7,10H,2,8,12H2,1H3/b11-3-/t10-/m0/s1
InChIKeyJAYOAMSDBBOOLD-OQUCWDNSSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine (CID 89153922) is (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine is C=CO/C(=C\C)C1=CC[C@@H](N)C=C1.
What is the InChIKey of (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is JAYOAMSDBBOOLD-OQUCWDNSSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(13-4-2)9-5-7-10(12)8-6-9/h3-7,10H,2,8,12H2,1H3/b11-3-/t10-/m0/s1.
What are the key properties of (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine?
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89153922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).