(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol

C9H18N2O — CID 124638982

IUPAC(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCN1CC[C@@](O)(N2CCCC2)C1
InChIInChI=1S/C9H18N2O/c1-10-7-4-9(12,8-10)11-5-2-3-6-11/h12H,2-8H2,1H3/t9-/m0/s1
InChIKeyLBKBZHKELSJOQJ-VIFPVBQESA-N
MW170.26 g/mol
LogP0.11
Rot. Bonds1

About (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol

(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol (PubChem CID 124638982) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
PubChem CID124638982
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCN1CC[C@@](O)(N2CCCC2)C1
InChIInChI=1S/C9H18N2O/c1-10-7-4-9(12,8-10)11-5-2-3-6-11/h12H,2-8H2,1H3/t9-/m0/s1
InChIKeyLBKBZHKELSJOQJ-VIFPVBQESA-N
XLogP0.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 62976375
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
3-methoxy-1-methylpyrrolidin-3-ol
CID 70383865
2-methyl-2-azaspiro[4.4]nonane
CID 59284550
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
3-hydroxy-1-methylpiperidine-3-sulfonic acid
CID 103574051
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);2,7-dimethyl-2,7-diazaspiro[3.5]nonane;2,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 161419496

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol (CID 124638982) is (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol is CN1CC[C@@](O)(N2CCCC2)C1.
What is the InChIKey of (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol?
The InChIKey is LBKBZHKELSJOQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-7-4-9(12,8-10)11-5-2-3-6-11/h12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol?
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 124638982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).