1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine

C10H13N3 — CID 11231519

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine
SMILESc1ccc(NNC2=NCCC2)cc1
InChIInChI=1S/C10H13N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-3,5-6,12H,4,7-8H2,(H,11,13)
InChIKeyZKVRNILQOPPZEU-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.80
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine

1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine (PubChem CID 11231519) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine
PubChem CID11231519
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine
SMILESc1ccc(NNC2=NCCC2)cc1
InChIInChI=1S/C10H13N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-3,5-6,12H,4,7-8H2,(H,11,13)
InChIKeyZKVRNILQOPPZEU-UHFFFAOYSA-N
XLogP1.80
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.80
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 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine (CID 11231519) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine is c1ccc(NNC2=NCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine?
The InChIKey is ZKVRNILQOPPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-3,5-6,12H,4,7-8H2,(H,11,13).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine has a molecular weight of 175.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine is sourced from PubChem (CID 11231519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).