cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone

C10H13NO2 — CID 170732129

IUPACcyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone
SMILESC#C[C@H]1C[C@H](O)CN1C(=O)C1CC1
InChIInChI=1S/C10H13NO2/c1-2-8-5-9(12)6-11(8)10(13)7-3-4-7/h1,7-9,12H,3-6H2/t8-,9-/m0/s1
InChIKeyKCEZABZGXSTFMF-IUCAKERBSA-N
MW179.22 g/mol
LogP-0.01
Rot. Bonds1

About cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone

cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 170732129) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID170732129
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namecyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone
SMILESC#C[C@H]1C[C@H](O)CN1C(=O)C1CC1
InChIInChI=1S/C10H13NO2/c1-2-8-5-9(12)6-11(8)10(13)7-3-4-7/h1,7-9,12H,3-6H2/t8-,9-/m0/s1
InChIKeyKCEZABZGXSTFMF-IUCAKERBSA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-2-ethynyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87961970
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-(4-butylcyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43184481
cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone
CID 155958280
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052618
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000761
(2S,4R)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 56757275

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone (CID 170732129) is cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone is C#C[C@H]1C[C@H](O)CN1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KCEZABZGXSTFMF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-8-5-9(12)6-11(8)10(13)7-3-4-7/h1,7-9,12H,3-6H2/t8-,9-/m0/s1.
What are the key properties of cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 179.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R,4S)-2-ethynyl-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 170732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).