(5E)-5-ethylidene-1-methylquinoline

C12H13N — CID 21039960

IUPAC(5E)-5-ethylidene-1-methylquinoline
SMILESC/C=c1\cccc2c1=CC=CN2C
InChIInChI=1S/C12H13N/c1-3-10-6-4-8-12-11(10)7-5-9-13(12)2/h3-9H,1-2H3/b10-3+
InChIKeyURZNNGASJHAGIM-XCVCLJGOSA-N
MW171.24 g/mol
LogP1.23
Rot. Bonds

About (5E)-5-ethylidene-1-methylquinoline

(5E)-5-ethylidene-1-methylquinoline (PubChem CID 21039960) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (5E)-5-ethylidene-1-methylquinoline.

Molecular Properties

Compound Name(5E)-5-ethylidene-1-methylquinoline
PubChem CID21039960
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(5E)-5-ethylidene-1-methylquinoline
SMILESC/C=c1\cccc2c1=CC=CN2C
InChIInChI=1S/C12H13N/c1-3-10-6-4-8-12-11(10)7-5-9-13(12)2/h3-9H,1-2H3/b10-3+
InChIKeyURZNNGASJHAGIM-XCVCLJGOSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-1-methylquinoline?
The IUPAC name of (5E)-5-ethylidene-1-methylquinoline (CID 21039960) is (5E)-5-ethylidene-1-methylquinoline.
What is the SMILES notation for (5E)-5-ethylidene-1-methylquinoline?
The canonical SMILES for (5E)-5-ethylidene-1-methylquinoline is C/C=c1\cccc2c1=CC=CN2C.
What is the InChIKey of (5E)-5-ethylidene-1-methylquinoline?
The InChIKey is URZNNGASJHAGIM-XCVCLJGOSA-N. The full InChI is InChI=1S/C12H13N/c1-3-10-6-4-8-12-11(10)7-5-9-13(12)2/h3-9H,1-2H3/b10-3+.
What are the key properties of (5E)-5-ethylidene-1-methylquinoline?
(5E)-5-ethylidene-1-methylquinoline has a molecular weight of 171.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-1-methylquinoline is sourced from PubChem (CID 21039960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).