3-propan-2-ylpyrrolidine-3-carbohydrazide

C8H17N3O — CID 106980734

IUPAC3-propan-2-ylpyrrolidine-3-carbohydrazide
SMILESCC(C)C1(C(=O)NN)CCNC1
InChIInChI=1S/C8H17N3O/c1-6(2)8(7(12)11-9)3-4-10-5-8/h6,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyQQWZHLIUNKOFDL-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.39
Rot. Bonds2

About 3-propan-2-ylpyrrolidine-3-carbohydrazide

3-propan-2-ylpyrrolidine-3-carbohydrazide (PubChem CID 106980734) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-propan-2-ylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name3-propan-2-ylpyrrolidine-3-carbohydrazide
PubChem CID106980734
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-propan-2-ylpyrrolidine-3-carbohydrazide
SMILESCC(C)C1(C(=O)NN)CCNC1
InChIInChI=1S/C8H17N3O/c1-6(2)8(7(12)11-9)3-4-10-5-8/h6,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyQQWZHLIUNKOFDL-UHFFFAOYSA-N
XLogP-0.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979756
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
N-(2-methylbut-3-yn-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980737

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrrolidine-3-carbohydrazide?
The IUPAC name of 3-propan-2-ylpyrrolidine-3-carbohydrazide (CID 106980734) is 3-propan-2-ylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for 3-propan-2-ylpyrrolidine-3-carbohydrazide?
The canonical SMILES for 3-propan-2-ylpyrrolidine-3-carbohydrazide is CC(C)C1(C(=O)NN)CCNC1.
What is the InChIKey of 3-propan-2-ylpyrrolidine-3-carbohydrazide?
The InChIKey is QQWZHLIUNKOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)8(7(12)11-9)3-4-10-5-8/h6,10H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-ylpyrrolidine-3-carbohydrazide?
3-propan-2-ylpyrrolidine-3-carbohydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 106980734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).