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

C10H13N3O2 — CID 2420663

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC1=NCCC1
InChIInChI=1S/C10H13N3O2/c1-7-8(4-6-15-7)10(14)13-12-9-3-2-5-11-9/h4,6H,2-3,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNYYLVRSENUZFLI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.01
Rot. Bonds1

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

N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide (PubChem CID 2420663) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide
PubChem CID2420663
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC1=NCCC1
InChIInChI=1S/C10H13N3O2/c1-7-8(4-6-15-7)10(14)13-12-9-3-2-5-11-9/h4,6H,2-3,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNYYLVRSENUZFLI-UHFFFAOYSA-N
XLogP1.01
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.01
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 N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide (CID 2420663) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC1=NCCC1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide?
The InChIKey is NYYLVRSENUZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-8(4-6-15-7)10(14)13-12-9-3-2-5-11-9/h4,6H,2-3,5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide has a molecular weight of 207.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 2420663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).