[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone

C15H22N2O2 — CID 95728453

IUPAC[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCCCC[C@H]1c1ccco1
InChIInChI=1S/C15H22N2O2/c18-15(16-9-4-5-10-16)17-11-3-1-2-7-13(17)14-8-6-12-19-14/h6,8,12-13H,1-5,7,9-11H2/t13-/m0/s1
InChIKeyTUJIFUSBNSJXKD-ZDUSSCGKSA-N
MW262.35 g/mol
LogP3.41
Rot. Bonds1

About [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone

[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95728453) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID95728453
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCCCC[C@H]1c1ccco1
InChIInChI=1S/C15H22N2O2/c18-15(16-9-4-5-10-16)17-11-3-1-2-7-13(17)14-8-6-12-19-14/h6,8,12-13H,1-5,7,9-11H2/t13-/m0/s1
InChIKeyTUJIFUSBNSJXKD-ZDUSSCGKSA-N
XLogP3.41
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97126729
10-[2-(furan-2-yl)azepane-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
CID 70783296
[2-(furan-2-yl)azepan-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74231471

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone (CID 95728453) is [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCCCC[C@H]1c1ccco1.
What is the InChIKey of [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TUJIFUSBNSJXKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(16-9-4-5-10-16)17-11-3-1-2-7-13(17)14-8-6-12-19-14/h6,8,12-13H,1-5,7,9-11H2/t13-/m0/s1.
What are the key properties of [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone?
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 262.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95728453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).