(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol

C14H24N4O — CID 77089560

IUPAC(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCCn1cncc1CN1C[C@H](O)[C@@H](N2CCCC2)C1
InChIInChI=1S/C14H24N4O/c1-2-17-11-15-7-12(17)8-16-9-13(14(19)10-16)18-5-3-4-6-18/h7,11,13-14,19H,2-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyIETHTMGFABHZNA-KBPBESRZSA-N
MW264.37 g/mol
LogP0.54
Rot. Bonds4

About (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol

(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol (PubChem CID 77089560) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
PubChem CID77089560
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCCn1cncc1CN1C[C@H](O)[C@@H](N2CCCC2)C1
InChIInChI=1S/C14H24N4O/c1-2-17-11-15-7-12(17)8-16-9-13(14(19)10-16)18-5-3-4-6-18/h7,11,13-14,19H,2-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyIETHTMGFABHZNA-KBPBESRZSA-N
XLogP0.54
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol (CID 77089560) is (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol is CCn1cncc1CN1C[C@H](O)[C@@H](N2CCCC2)C1.
What is the InChIKey of (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The InChIKey is IETHTMGFABHZNA-KBPBESRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-17-11-15-7-12(17)8-16-9-13(14(19)10-16)18-5-3-4-6-18/h7,11,13-14,19H,2-6,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol?
(3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3-ethylimidazol-4-yl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 77089560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).