(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol

C10H17N3O — CID 79031633

IUPAC(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCCn2ccnc2)C1
InChIInChI=1S/C10H17N3O/c14-10-2-6-12(8-10)4-1-5-13-7-3-11-9-13/h3,7,9-10,14H,1-2,4-6,8H2/t10-/m0/s1
InChIKeyHYXJWGRXCKGIFF-JTQLQIEISA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds4

About (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol

(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol (PubChem CID 79031633) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
PubChem CID79031633
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCCn2ccnc2)C1
InChIInChI=1S/C10H17N3O/c14-10-2-6-12(8-10)4-1-5-13-7-3-11-9-13/h3,7,9-10,14H,1-2,4-6,8H2/t10-/m0/s1
InChIKeyHYXJWGRXCKGIFF-JTQLQIEISA-N
XLogP0.34
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol (CID 79031633) is (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol is O[C@H]1CCN(CCCn2ccnc2)C1.
What is the InChIKey of (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol?
The InChIKey is HYXJWGRXCKGIFF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-2-6-12(8-10)4-1-5-13-7-3-11-9-13/h3,7,9-10,14H,1-2,4-6,8H2/t10-/m0/s1.
What are the key properties of (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol?
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 79031633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).