1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide

C17H25N3O4 — CID 54789420

IUPAC1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCCCCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-2-3-4-5-8-15(21)18-19-17(23)13-10-16(22)20(11-13)12-14-7-6-9-24-14/h6-7,9,13H,2-5,8,10-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyYXLYXGFVOVVHAX-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.75
Rot. Bonds8

About 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide

1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 54789420) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
PubChem CID54789420
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCCCCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-2-3-4-5-8-15(21)18-19-17(23)13-10-16(22)20(11-13)12-14-7-6-9-24-14/h6-7,9,13H,2-5,8,10-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyYXLYXGFVOVVHAX-UHFFFAOYSA-N
XLogP1.75
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
CID 17232694
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]propanamide
CID 17232783
N'-(2-butoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232688
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232632
1-(furan-2-ylmethyl)-5-oxo-N'-[(E)-3-phenylprop-2-enoyl]pyrrolidine-3-carbohydrazide
CID 17232588
1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232652
2-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232832
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 31036670
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide (CID 54789420) is 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide is CCCCCCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is YXLYXGFVOVVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-3-4-5-8-15(21)18-19-17(23)13-10-16(22)20(11-13)12-14-7-6-9-24-14/h6-7,9,13H,2-5,8,10-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide?
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 335.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 54789420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).