1-methanidyl-3-methylidenepyrrolidin-1-ium

C6H11N — CID 59347549

IUPAC1-methanidyl-3-methylidenepyrrolidin-1-ium
SMILESC=C1CC[NH+]([CH2-])C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h7H,1-5H2
InChIKeyNEKHXYRCMNVPKS-UHFFFAOYSA-N
MW97.16 g/mol
LogP-0.38
Rot. Bonds

About 1-methanidyl-3-methylidenepyrrolidin-1-ium

1-methanidyl-3-methylidenepyrrolidin-1-ium (PubChem CID 59347549) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methanidyl-3-methylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-methanidyl-3-methylidenepyrrolidin-1-ium
PubChem CID59347549
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methanidyl-3-methylidenepyrrolidin-1-ium
SMILESC=C1CC[NH+]([CH2-])C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h7H,1-5H2
InChIKeyNEKHXYRCMNVPKS-UHFFFAOYSA-N
XLogP-0.38
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-3-methylidenepyrrolidin-1-ium?
The IUPAC name of 1-methanidyl-3-methylidenepyrrolidin-1-ium (CID 59347549) is 1-methanidyl-3-methylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-methanidyl-3-methylidenepyrrolidin-1-ium?
The canonical SMILES for 1-methanidyl-3-methylidenepyrrolidin-1-ium is C=C1CC[NH+]([CH2-])C1.
What is the InChIKey of 1-methanidyl-3-methylidenepyrrolidin-1-ium?
The InChIKey is NEKHXYRCMNVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h7H,1-5H2.
What are the key properties of 1-methanidyl-3-methylidenepyrrolidin-1-ium?
1-methanidyl-3-methylidenepyrrolidin-1-ium has a molecular weight of 97.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3-methylidenepyrrolidin-1-ium is sourced from PubChem (CID 59347549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).