2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline

C13H16N2 — CID 67790068

IUPAC2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline
SMILESC1=CNCC1.C1=Cc2ccccc2NC1
InChIInChI=1S/C9H9N.C4H7N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1/h1-6,10H,7H2;1,3,5H,2,4H2
InChIKeyOPQATIKRVDZWCW-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.62
Rot. Bonds

About 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline

2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline (PubChem CID 67790068) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline
PubChem CID67790068
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline
SMILESC1=CNCC1.C1=Cc2ccccc2NC1
InChIInChI=1S/C9H9N.C4H7N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1/h1-6,10H,7H2;1,3,5H,2,4H2
InChIKeyOPQATIKRVDZWCW-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline?
The IUPAC name of 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline (CID 67790068) is 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline?
The canonical SMILES for 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline is C1=CNCC1.C1=Cc2ccccc2NC1.
What is the InChIKey of 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline?
The InChIKey is OPQATIKRVDZWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C4H7N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1/h1-6,10H,7H2;1,3,5H,2,4H2.
What are the key properties of 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline?
2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline has a molecular weight of 200.29 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole;1,2-dihydroquinoline is sourced from PubChem (CID 67790068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).