2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide

C18H27N3O3 — CID 9326224

IUPAC2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCCC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O3/c22-15(19-20-16(23)11-21-3-1-2-17(21)24)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,1-11H2,(H,19,22)(H,20,23)
InChIKeyYOIMKSVOFYHNTM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.36
Rot. Bonds4

About 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide (PubChem CID 9326224) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide
PubChem CID9326224
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCCC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O3/c22-15(19-20-16(23)11-21-3-1-2-17(21)24)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,1-11H2,(H,19,22)(H,20,23)
InChIKeyYOIMKSVOFYHNTM-UHFFFAOYSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.36
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 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide (CID 9326224) is 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide is O=C(CN1CCCC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide?
The InChIKey is YOIMKSVOFYHNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-15(19-20-16(23)11-21-3-1-2-17(21)24)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,1-11H2,(H,19,22)(H,20,23).
What are the key properties of 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide has a molecular weight of 333.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9326224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).