1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine

C10H12N2 — CID 167090956

IUPAC1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine
SMILESC/N=C/C1=CNC2=CC=CCC12
InChIInChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-3,5-7,9,12H,4H2,1H3/b11-6+
InChIKeyBBKCTFHIDKQWFX-IZZDOVSWSA-N
MW160.22 g/mol
LogP1.63
Rot. Bonds1

About 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine

1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine (PubChem CID 167090956) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine
PubChem CID167090956
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine
SMILESC/N=C/C1=CNC2=CC=CCC12
InChIInChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-3,5-7,9,12H,4H2,1H3/b11-6+
InChIKeyBBKCTFHIDKQWFX-IZZDOVSWSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine?
The IUPAC name of 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine (CID 167090956) is 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine is C/N=C/C1=CNC2=CC=CCC12.
What is the InChIKey of 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine?
The InChIKey is BBKCTFHIDKQWFX-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-3,5-7,9,12H,4H2,1H3/b11-6+.
What are the key properties of 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine?
1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine has a molecular weight of 160.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 167090956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).