1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone

C17H23NO2 — CID 167774935

IUPAC1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
SMILESCCc1ccc(C2CCCCCN2C(=O)C23CC2C3)o1
InChIInChI=1S/C17H23NO2/c1-2-13-7-8-15(20-13)14-6-4-3-5-9-18(14)16(19)17-10-12(17)11-17/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyPABQZQSRVYURAO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds3

About 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone

1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone (PubChem CID 167774935) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
PubChem CID167774935
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
SMILESCCc1ccc(C2CCCCCN2C(=O)C23CC2C3)o1
InChIInChI=1S/C17H23NO2/c1-2-13-7-8-15(20-13)14-6-4-3-5-9-18(14)16(19)17-10-12(17)11-17/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyPABQZQSRVYURAO-UHFFFAOYSA-N
XLogP3.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aR)-2-[2-[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124730747
[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-[5-(methylsulfonylmethyl)furan-2-yl]methanone
CID 96996576
N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015949
1-[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95633128
[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136539919
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-ethylfuran-2-yl)azepan-1-yl]propan-1-one
CID 56794218
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 164639845
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 154737191
5-[3-[2-(5-ethylfuran-2-yl)azepan-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136527257
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone (CID 167774935) is 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone is CCc1ccc(C2CCCCCN2C(=O)C23CC2C3)o1.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The InChIKey is PABQZQSRVYURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-13-7-8-15(20-13)14-6-4-3-5-9-18(14)16(19)17-10-12(17)11-17/h7-8,12,14H,2-6,9-11H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone is sourced from PubChem (CID 167774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).