N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C9H13ClN4O2 — CID 154921401

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1nonc1CNC(=O)C1C=CCN1.Cl
InChIInChI=1S/C9H12N4O2.ClH/c1-6-8(13-15-12-6)5-11-9(14)7-3-2-4-10-7;/h2-3,7,10H,4-5H2,1H3,(H,11,14);1H
InChIKeyRKGHHAHTAHBAPL-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.06
Rot. Bonds3

About N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154921401) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154921401
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1nonc1CNC(=O)C1C=CCN1.Cl
InChIInChI=1S/C9H12N4O2.ClH/c1-6-8(13-15-12-6)5-11-9(14)7-3-2-4-10-7;/h2-3,7,10H,4-5H2,1H3,(H,11,14);1H
InChIKeyRKGHHAHTAHBAPL-UHFFFAOYSA-N
XLogP-0.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154921401) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cc1nonc1CNC(=O)C1C=CCN1.Cl.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is RKGHHAHTAHBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2.ClH/c1-6-8(13-15-12-6)5-11-9(14)7-3-2-4-10-7;/h2-3,7,10H,4-5H2,1H3,(H,11,14);1H.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).