1-heptyl-5-oxopyrrolidine-3-carbohydrazide

C12H23N3O2 — CID 54792515

IUPAC1-heptyl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCCCCCN1CC(C(=O)NN)CC1=O
InChIInChI=1S/C12H23N3O2/c1-2-3-4-5-6-7-15-9-10(8-11(15)16)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyBQBCSXNKVRFRAA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.80
Rot. Bonds7

About 1-heptyl-5-oxopyrrolidine-3-carbohydrazide

1-heptyl-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 54792515) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-heptyl-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-heptyl-5-oxopyrrolidine-3-carbohydrazide
PubChem CID54792515
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-heptyl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCCCCCN1CC(C(=O)NN)CC1=O
InChIInChI=1S/C12H23N3O2/c1-2-3-4-5-6-7-15-9-10(8-11(15)16)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyBQBCSXNKVRFRAA-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-heptyl-5-oxopyrrolidine-3-carbohydrazide (CID 54792515) is 1-heptyl-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-heptyl-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-heptyl-5-oxopyrrolidine-3-carbohydrazide is CCCCCCCN1CC(C(=O)NN)CC1=O.
What is the InChIKey of 1-heptyl-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is BQBCSXNKVRFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-4-5-6-7-15-9-10(8-11(15)16)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17).
What are the key properties of 1-heptyl-5-oxopyrrolidine-3-carbohydrazide?
1-heptyl-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 241.33 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 54792515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).