N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide

C13H19N3O3 — CID 111536378

IUPACN'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)CC1(O)CCCC1
InChIInChI=1S/C13H19N3O3/c1-16-8-4-5-10(16)12(18)15-14-11(17)9-13(19)6-2-3-7-13/h4-5,8,19H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOOTZZOLXYQXKHY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.48
Rot. Bonds3

About N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide

N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 111536378) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID111536378
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)CC1(O)CCCC1
InChIInChI=1S/C13H19N3O3/c1-16-8-4-5-10(16)12(18)15-14-11(17)9-13(19)6-2-3-7-13/h4-5,8,19H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOOTZZOLXYQXKHY-UHFFFAOYSA-N
XLogP0.48
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 111536378) is N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNC(=O)CC1(O)CCCC1.
What is the InChIKey of N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is OOTZZOLXYQXKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-8-4-5-10(16)12(18)15-14-11(17)9-13(19)6-2-3-7-13/h4-5,8,19H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 111536378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).