2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline

C16H17N — CID 143382104

IUPAC2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline
SMILESCC1=CC2N=C(C3=CCCC=C3)C=CC2C=C1
InChIInChI=1S/C16H17N/c1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13/h3,5-11,14,16H,2,4H2,1H3
InChIKeyUTVCPQGVTGUYCK-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.77
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline

2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline (PubChem CID 143382104) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline
PubChem CID143382104
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline
SMILESCC1=CC2N=C(C3=CCCC=C3)C=CC2C=C1
InChIInChI=1S/C16H17N/c1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13/h3,5-11,14,16H,2,4H2,1H3
InChIKeyUTVCPQGVTGUYCK-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline (CID 143382104) is 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline is CC1=CC2N=C(C3=CCCC=C3)C=CC2C=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline?
The InChIKey is UTVCPQGVTGUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13/h3,5-11,14,16H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline?
2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 143382104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).