1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide

C19H24N4O3 — CID 37004925

IUPAC1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide
SMILESCC(C)CN1C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)9-23-10-13(8-17(23)24)18(25)20-21-19(26)15-11-22(3)16-7-5-4-6-14(15)16/h4-7,11-13H,8-10H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1
InChIKeyNOCJEWVAPHKYGV-ZDUSSCGKSA-N
MW356.43 g/mol
LogP1.44
Rot. Bonds4

About 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide

1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide (PubChem CID 37004925) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide
PubChem CID37004925
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide
SMILESCC(C)CN1C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)9-23-10-13(8-17(23)24)18(25)20-21-19(26)15-11-22(3)16-7-5-4-6-14(15)16/h4-7,11-13H,8-10H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1
InChIKeyNOCJEWVAPHKYGV-ZDUSSCGKSA-N
XLogP1.44
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
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 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide (CID 37004925) is 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide is CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O.
What is the InChIKey of 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide?
The InChIKey is NOCJEWVAPHKYGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)9-23-10-13(8-17(23)24)18(25)20-21-19(26)15-11-22(3)16-7-5-4-6-14(15)16/h4-7,11-13H,8-10H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1.
What are the key properties of 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide?
1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide has a molecular weight of 356.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 37004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).