3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane

C8H15N3 — CID 173214453

IUPAC3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane
SMILESC1=C(C2CCCNN2)NCC1
InChIInChI=1S/C8H15N3/c1-3-7(9-5-1)8-4-2-6-10-11-8/h3,8-11H,1-2,4-6H2
InChIKeyZXRXOIDRQMPNHB-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.12
Rot. Bonds1

About 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane

3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane (PubChem CID 173214453) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane
PubChem CID173214453
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane
SMILESC1=C(C2CCCNN2)NCC1
InChIInChI=1S/C8H15N3/c1-3-7(9-5-1)8-4-2-6-10-11-8/h3,8-11H,1-2,4-6H2
InChIKeyZXRXOIDRQMPNHB-UHFFFAOYSA-N
XLogP0.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane (CID 173214453) is 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane is C1=C(C2CCCNN2)NCC1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane?
The InChIKey is ZXRXOIDRQMPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-7(9-5-1)8-4-2-6-10-11-8/h3,8-11H,1-2,4-6H2.
What are the key properties of 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane?
3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane has a molecular weight of 153.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane is sourced from PubChem (CID 173214453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).