1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

C16H17N3O2 — CID 146675394

IUPAC1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H17N3O2/c17-18-16(21)13-8-15(20)19(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,17H2,(H,18,21)
InChIKeyHJSPHTGCOBHFQS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.18
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 146675394) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID146675394
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H17N3O2/c17-18-16(21)13-8-15(20)19(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,17H2,(H,18,21)
InChIKeyHJSPHTGCOBHFQS-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (CID 146675394) is 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is NNC(=O)C1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is HJSPHTGCOBHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-18-16(21)13-8-15(20)19(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,17H2,(H,18,21).
What are the key properties of 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 283.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 146675394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).