N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide

C11H15N3O2 — CID 78862676

IUPACN'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC/C=C(/C)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c1-3-5-8(2)10(15)13-14-11(16)9-6-4-7-12-9/h4-7,12H,3H2,1-2H3,(H,13,15)(H,14,16)/b8-5-
InChIKeyVKFRINZUDZSRFS-YVMONPNESA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds3

About N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide

N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78862676) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78862676
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC/C=C(/C)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c1-3-5-8(2)10(15)13-14-11(16)9-6-4-7-12-9/h4-7,12H,3H2,1-2H3,(H,13,15)(H,14,16)/b8-5-
InChIKeyVKFRINZUDZSRFS-YVMONPNESA-N
XLogP1.13
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide (CID 78862676) is N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide is CC/C=C(/C)C(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is VKFRINZUDZSRFS-YVMONPNESA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-5-8(2)10(15)13-14-11(16)9-6-4-7-12-9/h4-7,12H,3H2,1-2H3,(H,13,15)(H,14,16)/b8-5-.
What are the key properties of N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide?
N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 221.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78862676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).