(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

C17H30N2O2 — CID 24835738

IUPAC(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC[C@H](O)CN1CCCC1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)15(10-13)18-21-12-14(20)11-19-8-4-5-9-19/h13-14,20H,4-12H2,1-3H3/b18-15+/t13-,14-,17+/m1/s1
InChIKeyKBNLLZZCYNKPJK-XCKUNCRFSA-N
MW294.44 g/mol
LogP2.66
Rot. Bonds5

About (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (PubChem CID 24835738) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
PubChem CID24835738
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC[C@H](O)CN1CCCC1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)15(10-13)18-21-12-14(20)11-19-8-4-5-9-19/h13-14,20H,4-12H2,1-3H3/b18-15+/t13-,14-,17+/m1/s1
InChIKeyKBNLLZZCYNKPJK-XCKUNCRFSA-N
XLogP2.66
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The IUPAC name of (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (CID 24835738) is (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The canonical SMILES for (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC[C@H](O)CN1CCCC1)C2.
What is the InChIKey of (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The InChIKey is KBNLLZZCYNKPJK-XCKUNCRFSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)15(10-13)18-21-12-14(20)11-19-8-4-5-9-19/h13-14,20H,4-12H2,1-3H3/b18-15+/t13-,14-,17+/m1/s1.
What are the key properties of (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
(2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrrolidin-1-yl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 24835738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).