4-prop-2-enoxycinnoline

C11H10N2O — CID 135060412

IUPAC4-prop-2-enoxycinnoline
SMILESC=CCOc1cnnc2ccccc12
InChIInChI=1S/C11H10N2O/c1-2-7-14-11-8-12-13-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyIZWNLZCLZPPRSP-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.19
Rot. Bonds3

About 4-prop-2-enoxycinnoline

4-prop-2-enoxycinnoline (PubChem CID 135060412) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-prop-2-enoxycinnoline.

Molecular Properties

Compound Name4-prop-2-enoxycinnoline
PubChem CID135060412
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-prop-2-enoxycinnoline
SMILESC=CCOc1cnnc2ccccc12
InChIInChI=1S/C11H10N2O/c1-2-7-14-11-8-12-13-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyIZWNLZCLZPPRSP-UHFFFAOYSA-N
XLogP2.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxycinnoline
CID 560720
4-Cinnolinyl methyl ether
CID 292501
4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline
CID 54602268
(4-(Cinnolin-4-yloxy)phenyl)(imino)(methyl)-lambda6-sulfanone
CID 157040747
5-Fluoro-4-prop-2-ynoxycinnoline
CID 177851022
4-(Cinnolin-4-yloxymethyl)benzonitrile
CID 8098224
7-Chloro-4-phenoxycinnoline
CID 596987
4-Phenoxycinnoline
CID 21991035
6-Chloro-4-phenoxycinnoline
CID 21991067
6-Nitro-4-phenoxycinnoline
CID 22252590
7-Methoxycinnoline
CID 67104040
6-Methoxycinnoline
CID 85873371

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxycinnoline?
The IUPAC name of 4-prop-2-enoxycinnoline (CID 135060412) is 4-prop-2-enoxycinnoline.
What is the SMILES notation for 4-prop-2-enoxycinnoline?
The canonical SMILES for 4-prop-2-enoxycinnoline is C=CCOc1cnnc2ccccc12.
What is the InChIKey of 4-prop-2-enoxycinnoline?
The InChIKey is IZWNLZCLZPPRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-7-14-11-8-12-13-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2.
What are the key properties of 4-prop-2-enoxycinnoline?
4-prop-2-enoxycinnoline has a molecular weight of 186.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxycinnoline is sourced from PubChem (CID 135060412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).