2,3-dihydro-1H-indeno[1,2-h]isoquinoline

C16H13N — CID 87600709

IUPAC2,3-dihydro-1H-indeno[1,2-h]isoquinoline
SMILESC1=c2ccc3c(c2CNC1)C=c1ccccc1=3
InChIInChI=1S/C16H13N/c1-2-4-13-12(3-1)9-15-14(13)6-5-11-7-8-17-10-16(11)15/h1-7,9,17H,8,10H2
InChIKeyXDAIXAMIVQMQCR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds

About 2,3-dihydro-1H-indeno[1,2-h]isoquinoline

2,3-dihydro-1H-indeno[1,2-h]isoquinoline (PubChem CID 87600709) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-indeno[1,2-h]isoquinoline.

Molecular Properties

Compound Name2,3-dihydro-1H-indeno[1,2-h]isoquinoline
PubChem CID87600709
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2,3-dihydro-1H-indeno[1,2-h]isoquinoline
SMILESC1=c2ccc3c(c2CNC1)C=c1ccccc1=3
InChIInChI=1S/C16H13N/c1-2-4-13-12(3-1)9-15-14(13)6-5-11-7-8-17-10-16(11)15/h1-7,9,17H,8,10H2
InChIKeyXDAIXAMIVQMQCR-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indeno[1,2-h]isoquinoline?
The IUPAC name of 2,3-dihydro-1H-indeno[1,2-h]isoquinoline (CID 87600709) is 2,3-dihydro-1H-indeno[1,2-h]isoquinoline.
What is the SMILES notation for 2,3-dihydro-1H-indeno[1,2-h]isoquinoline?
The canonical SMILES for 2,3-dihydro-1H-indeno[1,2-h]isoquinoline is C1=c2ccc3c(c2CNC1)C=c1ccccc1=3.
What is the InChIKey of 2,3-dihydro-1H-indeno[1,2-h]isoquinoline?
The InChIKey is XDAIXAMIVQMQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-4-13-12(3-1)9-15-14(13)6-5-11-7-8-17-10-16(11)15/h1-7,9,17H,8,10H2.
What are the key properties of 2,3-dihydro-1H-indeno[1,2-h]isoquinoline?
2,3-dihydro-1H-indeno[1,2-h]isoquinoline has a molecular weight of 219.29 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indeno[1,2-h]isoquinoline is sourced from PubChem (CID 87600709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).