(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol

C9H18N2O — CID 129037001

IUPAC(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C(\N1CC[C@@H](O)C1)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(10)11-5-4-7(12)6-11/h7,10,12H,4-6H2,1-3H3/b10-8-/t7-/m1/s1
InChIKeyVWJPSGQUFQPHBT-JAGWFPCYSA-N
MW170.26 g/mol
LogP1.08
Rot. Bonds

About (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol

(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol (PubChem CID 129037001) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
PubChem CID129037001
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C(\N1CC[C@@H](O)C1)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(10)11-5-4-7(12)6-11/h7,10,12H,4-6H2,1-3H3/b10-8-/t7-/m1/s1
InChIKeyVWJPSGQUFQPHBT-JAGWFPCYSA-N
XLogP1.08
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol (CID 129037001) is (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol is [H]/N=C(\N1CC[C@@H](O)C1)C(C)(C)C.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The InChIKey is VWJPSGQUFQPHBT-JAGWFPCYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(10)11-5-4-7(12)6-11/h7,10,12H,4-6H2,1-3H3/b10-8-/t7-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol is sourced from PubChem (CID 129037001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).