7-pyrrolidin-1-yl-4H-azepine

C10H14N2 — CID 91499437

IUPAC7-pyrrolidin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCCC2)C=CC1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChIKeyJZEAMSBKHDXWBU-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds

About 7-pyrrolidin-1-yl-4H-azepine

7-pyrrolidin-1-yl-4H-azepine (PubChem CID 91499437) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-4H-azepine.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-4H-azepine
PubChem CID91499437
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name7-pyrrolidin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCCC2)C=CC1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChIKeyJZEAMSBKHDXWBU-UHFFFAOYSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-4H-azepine?
The IUPAC name of 7-pyrrolidin-1-yl-4H-azepine (CID 91499437) is 7-pyrrolidin-1-yl-4H-azepine.
What is the SMILES notation for 7-pyrrolidin-1-yl-4H-azepine?
The canonical SMILES for 7-pyrrolidin-1-yl-4H-azepine is C1=CN=C(N2CCCC2)C=CC1.
What is the InChIKey of 7-pyrrolidin-1-yl-4H-azepine?
The InChIKey is JZEAMSBKHDXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 7-pyrrolidin-1-yl-4H-azepine?
7-pyrrolidin-1-yl-4H-azepine has a molecular weight of 162.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-4H-azepine is sourced from PubChem (CID 91499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).