N'-methylcyclopenta-1,3-diene-1-carboximidamide

C7H10N2 — CID 58746429

IUPACN'-methylcyclopenta-1,3-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CC=CC1
InChIInChI=1S/C7H10N2/c1-9-7(8)6-4-2-3-5-6/h2-4H,5H2,1H3,(H2,8,9)
InChIKeyHKRQWZHGMAOERK-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds1

About N'-methylcyclopenta-1,3-diene-1-carboximidamide

N'-methylcyclopenta-1,3-diene-1-carboximidamide (PubChem CID 58746429) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-methylcyclopenta-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-methylcyclopenta-1,3-diene-1-carboximidamide
PubChem CID58746429
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-methylcyclopenta-1,3-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CC=CC1
InChIInChI=1S/C7H10N2/c1-9-7(8)6-4-2-3-5-6/h2-4H,5H2,1H3,(H2,8,9)
InChIKeyHKRQWZHGMAOERK-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methylcyclopenta-1,3-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methylcyclopenta-1,3-diene-1-carboximidamide?
The IUPAC name of N'-methylcyclopenta-1,3-diene-1-carboximidamide (CID 58746429) is N'-methylcyclopenta-1,3-diene-1-carboximidamide.
What is the SMILES notation for N'-methylcyclopenta-1,3-diene-1-carboximidamide?
The canonical SMILES for N'-methylcyclopenta-1,3-diene-1-carboximidamide is C/N=C(\N)C1=CC=CC1.
What is the InChIKey of N'-methylcyclopenta-1,3-diene-1-carboximidamide?
The InChIKey is HKRQWZHGMAOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-7(8)6-4-2-3-5-6/h2-4H,5H2,1H3,(H2,8,9).
What are the key properties of N'-methylcyclopenta-1,3-diene-1-carboximidamide?
N'-methylcyclopenta-1,3-diene-1-carboximidamide has a molecular weight of 122.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylcyclopenta-1,3-diene-1-carboximidamide is sourced from PubChem (CID 58746429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).