2-pyrrolidin-1-yl-3H-azepine

C10H14N2 — CID 14115560

IUPAC2-pyrrolidin-1-yl-3H-azepine
SMILESC1=CCC(N2CCCC2)=NC=C1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,7H,4-6,8-9H2
InChIKeyVOHBSTIFBSVIMJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds

About 2-pyrrolidin-1-yl-3H-azepine

2-pyrrolidin-1-yl-3H-azepine (PubChem CID 14115560) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-3H-azepine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-3H-azepine
PubChem CID14115560
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-pyrrolidin-1-yl-3H-azepine
SMILESC1=CCC(N2CCCC2)=NC=C1
InChIInChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,7H,4-6,8-9H2
InChIKeyVOHBSTIFBSVIMJ-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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Related Compounds

N,N-diethyl-5-fluoro-3H-azepin-2-amine
CID 13580905
3H-Azepin-2-amine, N,N-diethyl-
CID 12218543
N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
2-(Diethylamino)-5-chloro-3h-azepine
CID 12218539
N,N-diethyl-3-methyl-3H-azepin-2-amine
CID 12218544
6-methylsulfanyl-2-pyrrolidin-1-yl-3H-azepine
CID 14115556
N,N-dimethyl-3H-azepin-2-amine
CID 15331813
N,N-diethyl-5-iodo-3H-azepin-2-amine
CID 85568185
7-pyrrolidin-1-yl-4H-azepine
CID 91499437
1-ethyl-3,3a-dihydro-2H-pyrrolo[2,3-b]azepine
CID 134915495

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-3H-azepine?
The IUPAC name of 2-pyrrolidin-1-yl-3H-azepine (CID 14115560) is 2-pyrrolidin-1-yl-3H-azepine.
What is the SMILES notation for 2-pyrrolidin-1-yl-3H-azepine?
The canonical SMILES for 2-pyrrolidin-1-yl-3H-azepine is C1=CCC(N2CCCC2)=NC=C1.
What is the InChIKey of 2-pyrrolidin-1-yl-3H-azepine?
The InChIKey is VOHBSTIFBSVIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-10(11-7-3-1)12-8-4-5-9-12/h1-3,7H,4-6,8-9H2.
What are the key properties of 2-pyrrolidin-1-yl-3H-azepine?
2-pyrrolidin-1-yl-3H-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 2-pyrrolidin-1-yl-3H-azepine is sourced from PubChem (CID 14115560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).