[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone

C14H16BrNO — CID 66796086

IUPAC[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H16BrNO/c15-11-5-3-10(4-6-11)12-9-13(12)14(17)16-7-1-2-8-16/h3-6,12-13H,1-2,7-9H2/t12-,13+/m1/s1
InChIKeyHOVHKJPHKDFKPE-OLZOCXBDSA-N
MW294.19 g/mol
LogP3.17
Rot. Bonds2

About [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone

[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 66796086) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID66796086
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H16BrNO/c15-11-5-3-10(4-6-11)12-9-13(12)14(17)16-7-1-2-8-16/h3-6,12-13H,1-2,7-9H2/t12-,13+/m1/s1
InChIKeyHOVHKJPHKDFKPE-OLZOCXBDSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702063
1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702078
1-[(1S,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702121
1-[2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166718
[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 51893754
(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125147595
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
3-[(3S)-1-[(1S,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124700651
(2R)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125151988
trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 52528149
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone (CID 66796086) is [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone is O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HOVHKJPHKDFKPE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-11-5-3-10(4-6-11)12-9-13(12)14(17)16-7-1-2-8-16/h3-6,12-13H,1-2,7-9H2/t12-,13+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 294.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66796086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).