2-pyrrolidin-1-yl-1H-azepine

C10H14N2 — CID 149254031

IUPAC2-pyrrolidin-1-yl-1H-azepine
SMILESC1=CC=C(N2CCCC2)NC=C1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2
InChIKeyUOCKAJKVYAPUAJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.60
Rot. Bonds1

About 2-pyrrolidin-1-yl-1H-azepine

2-pyrrolidin-1-yl-1H-azepine (PubChem CID 149254031) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1H-azepine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1H-azepine
PubChem CID149254031
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-pyrrolidin-1-yl-1H-azepine
SMILESC1=CC=C(N2CCCC2)NC=C1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2
InChIKeyUOCKAJKVYAPUAJ-UHFFFAOYSA-N
XLogP1.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine
CID 145365347
2-Pyrrolidin-1-yl-1,2-dihydropyridine
CID 21071163
2-pyrrolidin-1-yl-1H-pyridin-2-amine
CID 142786167
6-Pyrrolidin-1-yl-1,2-dihydropyridine
CID 144119807
1H-azepine;pyrrolidine
CID 161879532
(1E,3Z)-1-pyrrolidin-1-ylbuta-1,3-diene-1,4-diamine
CID 172249140

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1H-azepine?
The IUPAC name of 2-pyrrolidin-1-yl-1H-azepine (CID 149254031) is 2-pyrrolidin-1-yl-1H-azepine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1H-azepine?
The canonical SMILES for 2-pyrrolidin-1-yl-1H-azepine is C1=CC=C(N2CCCC2)NC=C1.
What is the InChIKey of 2-pyrrolidin-1-yl-1H-azepine?
The InChIKey is UOCKAJKVYAPUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 2-pyrrolidin-1-yl-1H-azepine?
2-pyrrolidin-1-yl-1H-azepine has a molecular weight of 162.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1H-azepine is sourced from PubChem (CID 149254031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).