azane;3,4-dihydro-2H-pyrrole

C4H10N2 — CID 158536458

IUPACazane;3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1.N
InChIInChI=1S/C4H7N.H3N/c1-2-4-5-3-1;/h3H,1-2,4H2;1H3
InChIKeyDASHZIJESFAMIZ-UHFFFAOYSA-N
MW86.14 g/mol
LogP1.01
Rot. Bonds

About azane;3,4-dihydro-2H-pyrrole

azane;3,4-dihydro-2H-pyrrole (PubChem CID 158536458) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is azane;3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Nameazane;3,4-dihydro-2H-pyrrole
PubChem CID158536458
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Nameazane;3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1.N
InChIInChI=1S/C4H7N.H3N/c1-2-4-5-3-1;/h3H,1-2,4H2;1H3
InChIKeyDASHZIJESFAMIZ-UHFFFAOYSA-N
XLogP1.01
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3,4-dihydro-2H-pyrrole?
The IUPAC name of azane;3,4-dihydro-2H-pyrrole (CID 158536458) is azane;3,4-dihydro-2H-pyrrole.
What is the SMILES notation for azane;3,4-dihydro-2H-pyrrole?
The canonical SMILES for azane;3,4-dihydro-2H-pyrrole is C1=NCCC1.N.
What is the InChIKey of azane;3,4-dihydro-2H-pyrrole?
The InChIKey is DASHZIJESFAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.H3N/c1-2-4-5-3-1;/h3H,1-2,4H2;1H3.
What are the key properties of azane;3,4-dihydro-2H-pyrrole?
azane;3,4-dihydro-2H-pyrrole has a molecular weight of 86.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 158536458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).