(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide

C8H17N3O — CID 70043648

IUPAC(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide
SMILESC[C@@H]1CC(C(=O)NN(C)C)CN1
InChIInChI=1S/C8H17N3O/c1-6-4-7(5-9-6)8(12)10-11(2)3/h6-7,9H,4-5H2,1-3H3,(H,10,12)/t6-,7?/m1/s1
InChIKeyVSBAUILPCMUBFX-ULUSZKPHSA-N
MW171.24 g/mol
LogP-0.42
Rot. Bonds2

About (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide

(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide (PubChem CID 70043648) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide
PubChem CID70043648
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide
SMILESC[C@@H]1CC(C(=O)NN(C)C)CN1
InChIInChI=1S/C8H17N3O/c1-6-4-7(5-9-6)8(12)10-11(2)3/h6-7,9H,4-5H2,1-3H3,(H,10,12)/t6-,7?/m1/s1
InChIKeyVSBAUILPCMUBFX-ULUSZKPHSA-N
XLogP-0.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide?
The IUPAC name of (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide (CID 70043648) is (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide?
The canonical SMILES for (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide is C[C@@H]1CC(C(=O)NN(C)C)CN1.
What is the InChIKey of (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide?
The InChIKey is VSBAUILPCMUBFX-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-4-7(5-9-6)8(12)10-11(2)3/h6-7,9H,4-5H2,1-3H3,(H,10,12)/t6-,7?/m1/s1.
What are the key properties of (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide?
(5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N',N',5-trimethylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 70043648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).