2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole

C11H15N3 — CID 159210756

IUPAC2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole
SMILESC1=CNNC1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-4,9H,5-6H2;1-2,4-5H,3H2
InChIKeyKQLSEEZDZYSZNL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.26
Rot. Bonds

About 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole

2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole (PubChem CID 159210756) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole
PubChem CID159210756
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole
SMILESC1=CNNC1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-4,9H,5-6H2;1-2,4-5H,3H2
InChIKeyKQLSEEZDZYSZNL-UHFFFAOYSA-N
XLogP1.26
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23296774
2,3-dihydro-1H-indole;quinoline
CID 174869582
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
2,3-dihydro-1H-indole;piperidine;pyrimidine
CID 174668037
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
2,3-dihydro-1H-indole;methyl acetate
CID 160533023

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole?
The IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole (CID 159210756) is 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole?
The canonical SMILES for 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole is C1=CNNC1.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole?
The InChIKey is KQLSEEZDZYSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C3H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-4,9H,5-6H2;1-2,4-5H,3H2.
What are the key properties of 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole?
2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole has a molecular weight of 189.26 g/mol, XLogP of 1.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 159210756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).