1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole

C12H14N2 — CID 121014609

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2C1=NCCC1
InChIInChI=1S/C12H14N2/c1-2-5-11-10(4-1)7-9-14(11)12-6-3-8-13-12/h1-2,4-5H,3,6-9H2
InChIKeyKKSSNGFKNNPWGG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.24
Rot. Bonds

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole

1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole (PubChem CID 121014609) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
PubChem CID121014609
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2C1=NCCC1
InChIInChI=1S/C12H14N2/c1-2-5-11-10(4-1)7-9-14(11)12-6-3-8-13-12/h1-2,4-5H,3,6-9H2
InChIKeyKKSSNGFKNNPWGG-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180
1-(1H-imidazol-5-yl)-2,3-dihydroindole
CID 54328631
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
CID 62869182
3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
CID 110454992
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole (CID 121014609) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole is c1ccc2c(c1)CCN2C1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole?
The InChIKey is KKSSNGFKNNPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-5-11-10(4-1)7-9-14(11)12-6-3-8-13-12/h1-2,4-5H,3,6-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole has a molecular weight of 186.26 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole is sourced from PubChem (CID 121014609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).