1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol

C13H25N3O3 — CID 67874197

IUPAC1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol
SMILESCC(O)C/N=C1\CC/C(=N\CC(C)O)N1CC(C)O
InChIInChI=1S/C13H25N3O3/c1-9(17)6-14-12-4-5-13(15-7-10(2)18)16(12)8-11(3)19/h9-11,17-19H,4-8H2,1-3H3/b14-12+,15-13+
InChIKeyPTSGXKJVQZXRGV-QUMQEAAQSA-N
MW271.36 g/mol
LogP0.02
Rot. Bonds6

About 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol

1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol (PubChem CID 67874197) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol
PubChem CID67874197
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol
SMILESCC(O)C/N=C1\CC/C(=N\CC(C)O)N1CC(C)O
InChIInChI=1S/C13H25N3O3/c1-9(17)6-14-12-4-5-13(15-7-10(2)18)16(12)8-11(3)19/h9-11,17-19H,4-8H2,1-3H3/b14-12+,15-13+
InChIKeyPTSGXKJVQZXRGV-QUMQEAAQSA-N
XLogP0.02
TPSA88.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol?
The IUPAC name of 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol (CID 67874197) is 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol?
The canonical SMILES for 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol is CC(O)C/N=C1\CC/C(=N\CC(C)O)N1CC(C)O.
What is the InChIKey of 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol?
The InChIKey is PTSGXKJVQZXRGV-QUMQEAAQSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(17)6-14-12-4-5-13(15-7-10(2)18)16(12)8-11(3)19/h9-11,17-19H,4-8H2,1-3H3/b14-12+,15-13+.
What are the key properties of 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol?
1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol is sourced from PubChem (CID 67874197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).