7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine

C11H14N2 — CID 143003951

IUPAC7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine
SMILESC1=CN=C(C2=CCCNC2)C=CC1
InChIInChI=1S/C11H14N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h2-3,5-6,8,12H,1,4,7,9H2
InChIKeyZSRAIGCPQWVHJY-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.82
Rot. Bonds1

About 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine

7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine (PubChem CID 143003951) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine.

Molecular Properties

Compound Name7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine
PubChem CID143003951
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine
SMILESC1=CN=C(C2=CCCNC2)C=CC1
InChIInChI=1S/C11H14N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h2-3,5-6,8,12H,1,4,7,9H2
InChIKeyZSRAIGCPQWVHJY-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 19705379
5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine
CID 130506722
5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 119031101
5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;hydrochloride
CID 154803645
1,7-dihydroquinoxaline;ethane
CID 142336197
5-(furan-3-yl)-1,2,3,6-tetrahydropyridine
CID 130506685
3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 130506741
2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
CID 130593173
5-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 176586744
2,3,4,6-tetrahydrocinnoline
CID 173071675
4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168941722
5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
CID 130506700

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine?
The IUPAC name of 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine (CID 143003951) is 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine.
What is the SMILES notation for 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine?
The canonical SMILES for 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine is C1=CN=C(C2=CCCNC2)C=CC1.
What is the InChIKey of 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine?
The InChIKey is ZSRAIGCPQWVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h2-3,5-6,8,12H,1,4,7,9H2.
What are the key properties of 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine?
7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine has a molecular weight of 174.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine is sourced from PubChem (CID 143003951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).