[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

C10H17NO2 — CID 131201233

IUPAC[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCO[C@H]1CCN(C(=O)C2CC2C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-4-3-8(6-11)13-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m0/s1
InChIKeyWQRZBCJRFRTPRH-MGURRDGZSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds2

About [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 131201233) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID131201233
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCO[C@H]1CCN(C(=O)C2CC2C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-4-3-8(6-11)13-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m0/s1
InChIKeyWQRZBCJRFRTPRH-MGURRDGZSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
3-(3-methoxypyrrolidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 103531286

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (CID 131201233) is [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is CO[C@H]1CCN(C(=O)C2CC2C)C1.
What is the InChIKey of [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is WQRZBCJRFRTPRH-MGURRDGZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-4-3-8(6-11)13-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m0/s1.
What are the key properties of [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 131201233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).