3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine

C12H17NO — CID 170074645

IUPAC3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine
SMILESC1=CC(OC2CNC2)CC=C1C1CC1
InChIInChI=1S/C12H17NO/c1-2-9(1)10-3-5-11(6-4-10)14-12-7-13-8-12/h3-5,9,11-13H,1-2,6-8H2
InChIKeyYCKWRGOZSLJDFH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds3

About 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine

3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine (PubChem CID 170074645) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine.

Molecular Properties

Compound Name3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine
PubChem CID170074645
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine
SMILESC1=CC(OC2CNC2)CC=C1C1CC1
InChIInChI=1S/C12H17NO/c1-2-9(1)10-3-5-11(6-4-10)14-12-7-13-8-12/h3-5,9,11-13H,1-2,6-8H2
InChIKeyYCKWRGOZSLJDFH-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine?
The IUPAC name of 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine (CID 170074645) is 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine.
What is the SMILES notation for 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine?
The canonical SMILES for 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine is C1=CC(OC2CNC2)CC=C1C1CC1.
What is the InChIKey of 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine?
The InChIKey is YCKWRGOZSLJDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9(1)10-3-5-11(6-4-10)14-12-7-13-8-12/h3-5,9,11-13H,1-2,6-8H2.
What are the key properties of 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine?
3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine has a molecular weight of 191.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylcyclohexa-2,4-dien-1-yl)oxyazetidine is sourced from PubChem (CID 170074645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).