(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

C8H17NO — CID 15021110

IUPAC(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO/c1-6(2)8(10)7-4-3-5-9-7/h6-10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyJAFNXIURWDEJMS-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 15021110) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
PubChem CID15021110
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO/c1-6(2)8(10)7-4-3-5-9-7/h6-10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyJAFNXIURWDEJMS-YUMQZZPRSA-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 (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (CID 15021110) is (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is CC(C)[C@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JAFNXIURWDEJMS-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8(10)7-4-3-5-9-7/h6-10H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol 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 (1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 15021110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).