6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride

C14H16ClN3 — CID 68655128

IUPAC6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride
SMILESCNC1CCc2[nH]c3ccc(C#N)cc3c2C1.Cl
InChIInChI=1S/C14H15N3.ClH/c1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13(11)17-14;/h2,4,6,10,16-17H,3,5,7H2,1H3;1H
InChIKeyPAJPIOLCPOCHHY-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.54
Rot. Bonds1

About 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride

6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride (PubChem CID 68655128) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride
PubChem CID68655128
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride
SMILESCNC1CCc2[nH]c3ccc(C#N)cc3c2C1.Cl
InChIInChI=1S/C14H15N3.ClH/c1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13(11)17-14;/h2,4,6,10,16-17H,3,5,7H2,1H3;1H
InChIKeyPAJPIOLCPOCHHY-UHFFFAOYSA-N
XLogP2.54
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride (CID 68655128) is 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride is CNC1CCc2[nH]c3ccc(C#N)cc3c2C1.Cl.
What is the InChIKey of 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride?
The InChIKey is PAJPIOLCPOCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.ClH/c1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13(11)17-14;/h2,4,6,10,16-17H,3,5,7H2,1H3;1H.
What are the key properties of 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride?
6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride is sourced from PubChem (CID 68655128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).