N-ethynyl-1-pyrrolidin-3-ylmethanimine

C7H10N2 — CID 146670454

IUPACN-ethynyl-1-pyrrolidin-3-ylmethanimine
SMILESC#C/N=C/C1CCNC1
InChIInChI=1S/C7H10N2/c1-2-8-5-7-3-4-9-6-7/h1,5,7,9H,3-4,6H2/b8-5+
InChIKeyNNFKNMNZZGFXBP-VMPITWQZSA-N
MW122.17 g/mol
LogP0.26
Rot. Bonds1

About N-ethynyl-1-pyrrolidin-3-ylmethanimine

N-ethynyl-1-pyrrolidin-3-ylmethanimine (PubChem CID 146670454) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-ethynyl-1-pyrrolidin-3-ylmethanimine.

Molecular Properties

Compound NameN-ethynyl-1-pyrrolidin-3-ylmethanimine
PubChem CID146670454
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-ethynyl-1-pyrrolidin-3-ylmethanimine
SMILESC#C/N=C/C1CCNC1
InChIInChI=1S/C7H10N2/c1-2-8-5-7-3-4-9-6-7/h1,5,7,9H,3-4,6H2/b8-5+
InChIKeyNNFKNMNZZGFXBP-VMPITWQZSA-N
XLogP0.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethynyl-1-pyrrolidin-3-ylmethanimine?
The IUPAC name of N-ethynyl-1-pyrrolidin-3-ylmethanimine (CID 146670454) is N-ethynyl-1-pyrrolidin-3-ylmethanimine.
What is the SMILES notation for N-ethynyl-1-pyrrolidin-3-ylmethanimine?
The canonical SMILES for N-ethynyl-1-pyrrolidin-3-ylmethanimine is C#C/N=C/C1CCNC1.
What is the InChIKey of N-ethynyl-1-pyrrolidin-3-ylmethanimine?
The InChIKey is NNFKNMNZZGFXBP-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-8-5-7-3-4-9-6-7/h1,5,7,9H,3-4,6H2/b8-5+.
What are the key properties of N-ethynyl-1-pyrrolidin-3-ylmethanimine?
N-ethynyl-1-pyrrolidin-3-ylmethanimine has a molecular weight of 122.17 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-1-pyrrolidin-3-ylmethanimine is sourced from PubChem (CID 146670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).