1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol

C12H19N3O — CID 79743850

IUPAC1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CC1(O)CCN(C2CC2)C1
InChIInChI=1S/C12H19N3O/c1-14-7-5-13-11(14)8-12(16)4-6-15(9-12)10-2-3-10/h5,7,10,16H,2-4,6,8-9H2,1H3
InChIKeyHVNDXZVTQKZIAG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds3

About 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol

1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 79743850) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID79743850
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CC1(O)CCN(C2CC2)C1
InChIInChI=1S/C12H19N3O/c1-14-7-5-13-11(14)8-12(16)4-6-15(9-12)10-2-3-10/h5,7,10,16H,2-4,6,8-9H2,1H3
InChIKeyHVNDXZVTQKZIAG-UHFFFAOYSA-N
XLogP0.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1-ethyl-4-[(1-methylimidazol-2-yl)methyl]azepan-4-ol
CID 79743883
1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 62977841
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
1-cyclopropyl-3-(1-propylimidazol-2-yl)pyrrolidin-3-ol
CID 63975841
4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
CID 79744326
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495642

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol (CID 79743850) is 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol is Cn1ccnc1CC1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is HVNDXZVTQKZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-7-5-13-11(14)8-12(16)4-6-15(9-12)10-2-3-10/h5,7,10,16H,2-4,6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79743850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).