[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone

C9H15NO2 — CID 130162770

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC[C@H](O)C2)CC1
InChIInChI=1S/C9H15NO2/c1-9(3-4-9)8(12)10-5-2-7(11)6-10/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeySCNKPXUJUGAFAS-ZETCQYMHSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds1

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

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 130162770) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID130162770
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC[C@H](O)C2)CC1
InChIInChI=1S/C9H15NO2/c1-9(3-4-9)8(12)10-5-2-7(11)6-10/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeySCNKPXUJUGAFAS-ZETCQYMHSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (CID 130162770) is [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CC[C@H](O)C2)CC1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is SCNKPXUJUGAFAS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(3-4-9)8(12)10-5-2-7(11)6-10/h7,11H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 169.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130162770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).