1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

C10H15N3O2 — CID 66260854

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CC[C@@H](O)C1
InChIInChI=1S/C10H15N3O2/c14-9-1-5-13(7-9)10(15)2-4-12-6-3-11-8-12/h3,6,8-9,14H,1-2,4-5,7H2/t9-/m1/s1
InChIKeyOIPQROLDHPVXGQ-SECBINFHSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 66260854) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID66260854
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CC[C@@H](O)C1
InChIInChI=1S/C10H15N3O2/c14-9-1-5-13(7-9)10(15)2-4-12-6-3-11-8-12/h3,6,8-9,14H,1-2,4-5,7H2/t9-/m1/s1
InChIKeyOIPQROLDHPVXGQ-SECBINFHSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
1-(3-hydroxypyrrolidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 62916903
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66051208
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 66260854) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is OIPQROLDHPVXGQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-1-5-13(7-9)10(15)2-4-12-6-3-11-8-12/h3,6,8-9,14H,1-2,4-5,7H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 209.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 66260854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).