(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide

C11H21N3O2 — CID 90927679

IUPAC(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide
SMILESCCCCC(=O)NNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H21N3O2/c1-3-4-7-10(15)12-13-11(16)9-6-5-8-14(9)2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1
InChIKeyXVHFMBKIIVOQDI-VIFPVBQESA-N
MW227.31 g/mol
LogP0.42
Rot. Bonds4

About (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide

(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide (PubChem CID 90927679) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide
PubChem CID90927679
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide
SMILESCCCCC(=O)NNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H21N3O2/c1-3-4-7-10(15)12-13-11(16)9-6-5-8-14(9)2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1
InChIKeyXVHFMBKIIVOQDI-VIFPVBQESA-N
XLogP0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.42
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 (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide (CID 90927679) is (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide is CCCCC(=O)NNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide?
The InChIKey is XVHFMBKIIVOQDI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-7-10(15)12-13-11(16)9-6-5-8-14(9)2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide?
(2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide has a molecular weight of 227.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N'-pentanoylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 90927679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).