(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol

C10H21NO — CID 99134697

IUPAC(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)CN1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyXMQSOLRICQRFBB-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol

(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol (PubChem CID 99134697) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
PubChem CID99134697
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)CN1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyXMQSOLRICQRFBB-ZJUUUORDSA-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 (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol (CID 99134697) is (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol is CC(C)[C@@H]1C[C@@H](O)CN1C(C)C.
What is the InChIKey of (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol?
The InChIKey is XMQSOLRICQRFBB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol?
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-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 (3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 99134697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).