N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine

C16H12N2 — CID 158278973

IUPACN-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine
SMILESC=N[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3
InChIInChI=1S/C16H12N2/c1-17-18-9-12-6-7-14-13-5-3-2-4-11(13)8-15(14)16(12)10-18/h2-7H,1,8,10H2
InChIKeyHRMHRSAIOAIFPA-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.70
Rot. Bonds1

About N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine

N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine (PubChem CID 158278973) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine
PubChem CID158278973
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC NameN-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine
SMILESC=N[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3
InChIInChI=1S/C16H12N2/c1-17-18-9-12-6-7-14-13-5-3-2-4-11(13)8-15(14)16(12)10-18/h2-7H,1,8,10H2
InChIKeyHRMHRSAIOAIFPA-UHFFFAOYSA-N
XLogP2.70
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine
CID 160668641
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
ethene;9H-fluorene
CID 159544077
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene-1,2-disulfonic acid
CID 22770255
2-chloro-9H-fluoren-1-amine
CID 150811433
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
CID 123562270
CID 123562270
1-methylsulfonyl-9H-fluorene
CID 150271326
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
cadmium;9H-fluorene
CID 175337736

Frequently Asked Questions

What is the IUPAC name of N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine?
The IUPAC name of N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine (CID 158278973) is N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine.
What is the SMILES notation for N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine?
The canonical SMILES for N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine is C=N[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3.
What is the InChIKey of N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine?
The InChIKey is HRMHRSAIOAIFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-17-18-9-12-6-7-14-13-5-3-2-4-11(13)8-15(14)16(12)10-18/h2-7H,1,8,10H2.
What are the key properties of N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine?
N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine has a molecular weight of 232.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine is sourced from PubChem (CID 158278973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).