[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol

C8H17NO — CID 22942169

IUPAC[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)[C@]1(CO)CCCN1
InChIInChI=1S/C8H17NO/c1-7(2)8(6-10)4-3-5-9-8/h7,9-10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFHSMPVFRCQSFCH-MRVPVSSYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol

[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 22942169) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID22942169
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)[C@]1(CO)CCCN1
InChIInChI=1S/C8H17NO/c1-7(2)8(6-10)4-3-5-9-8/h7,9-10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFHSMPVFRCQSFCH-MRVPVSSYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol (CID 22942169) is [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol is CC(C)[C@]1(CO)CCCN1.
What is the InChIKey of [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is FHSMPVFRCQSFCH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8(6-10)4-3-5-9-8/h7,9-10H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 22942169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).