6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine

C9H13NO — CID 89088797

IUPAC6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine
SMILESC=C(C)OC1CC=CC=C1N
InChIInChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-5,9H,1,6,10H2,2H3
InChIKeyIYVFTFQQMZGNTI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.71
Rot. Bonds2

About 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine

6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine (PubChem CID 89088797) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine
PubChem CID89088797
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine
SMILESC=C(C)OC1CC=CC=C1N
InChIInChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-5,9H,1,6,10H2,2H3
InChIKeyIYVFTFQQMZGNTI-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 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 ≤ 51.71
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 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine (CID 89088797) is 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine is C=C(C)OC1CC=CC=C1N.
What is the InChIKey of 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine?
The InChIKey is IYVFTFQQMZGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-5,9H,1,6,10H2,2H3.
What are the key properties of 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine?
6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89088797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).