[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol

C9H17NO — CID 89000503

IUPAC[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
SMILESC[C@@H]1CC1C1CN[C@H](CO)C1
InChIInChI=1S/C9H17NO/c1-6-2-9(6)7-3-8(5-11)10-4-7/h6-11H,2-5H2,1H3/t6-,7?,8+,9?/m1/s1
InChIKeyWRVXOXNRGWZYDI-PQNACEFISA-N
MW155.24 g/mol
LogP0.61
Rot. Bonds2

About [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol

[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol (PubChem CID 89000503) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
PubChem CID89000503
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
SMILESC[C@@H]1CC1C1CN[C@H](CO)C1
InChIInChI=1S/C9H17NO/c1-6-2-9(6)7-3-8(5-11)10-4-7/h6-11H,2-5H2,1H3/t6-,7?,8+,9?/m1/s1
InChIKeyWRVXOXNRGWZYDI-PQNACEFISA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol (CID 89000503) is [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol is C[C@@H]1CC1C1CN[C@H](CO)C1.
What is the InChIKey of [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol?
The InChIKey is WRVXOXNRGWZYDI-PQNACEFISA-N. The full InChI is InChI=1S/C9H17NO/c1-6-2-9(6)7-3-8(5-11)10-4-7/h6-11H,2-5H2,1H3/t6-,7?,8+,9?/m1/s1.
What are the key properties of [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol?
[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 89000503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).