N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide

C12H15N3O — CID 2317616

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC1=NCCC1
InChIInChI=1S/C12H15N3O/c1-9-5-2-3-6-10(9)12(16)15-14-11-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyHDBBWNXEZIATPU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.42
Rot. Bonds1

About N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide

N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide (PubChem CID 2317616) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide
PubChem CID2317616
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC1=NCCC1
InChIInChI=1S/C12H15N3O/c1-9-5-2-3-6-10(9)12(16)15-14-11-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyHDBBWNXEZIATPU-UHFFFAOYSA-N
XLogP1.42
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.42
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 N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide (CID 2317616) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC1=NCCC1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide?
The InChIKey is HDBBWNXEZIATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-2-3-6-10(9)12(16)15-14-11-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide has a molecular weight of 217.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbenzohydrazide is sourced from PubChem (CID 2317616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).