2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol

C10H21NO — CID 170928468

IUPAC2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
SMILESCC(C)N1CC[C@H](C(C)(C)O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-9(7-11)10(3,4)12/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySLKWKDOUCWWSEU-VIFPVBQESA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol

2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol (PubChem CID 170928468) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
PubChem CID170928468
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
SMILESCC(C)N1CC[C@H](C(C)(C)O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-9(7-11)10(3,4)12/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySLKWKDOUCWWSEU-VIFPVBQESA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol (CID 170928468) is 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol is CC(C)N1CC[C@H](C(C)(C)O)C1.
What is the InChIKey of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol?
The InChIKey is SLKWKDOUCWWSEU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-6-5-9(7-11)10(3,4)12/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol?
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 170928468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).