8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline

C13H19NO — CID 171061793

IUPAC8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline
SMILESCOC1=C2NCCCC2C(=C(C)C)C=C1
InChIInChI=1S/C13H19NO/c1-9(2)10-6-7-12(15-3)13-11(10)5-4-8-14-13/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyWVCJMKSENOCQQF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds1

About 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline

8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline (PubChem CID 171061793) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline
PubChem CID171061793
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline
SMILESCOC1=C2NCCCC2C(=C(C)C)C=C1
InChIInChI=1S/C13H19NO/c1-9(2)10-6-7-12(15-3)13-11(10)5-4-8-14-13/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyWVCJMKSENOCQQF-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline?
The IUPAC name of 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline (CID 171061793) is 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline.
What is the SMILES notation for 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline?
The canonical SMILES for 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline is COC1=C2NCCCC2C(=C(C)C)C=C1.
What is the InChIKey of 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline?
The InChIKey is WVCJMKSENOCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)10-6-7-12(15-3)13-11(10)5-4-8-14-13/h6-7,11,14H,4-5,8H2,1-3H3.
What are the key properties of 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline?
8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline has a molecular weight of 205.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline is sourced from PubChem (CID 171061793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).