1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile

C16H13N3 — CID 116985998

IUPAC1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile
SMILESCn1c2ccncc2c2cc(C3(C#N)CC3)ccc21
InChIInChI=1S/C16H13N3/c1-19-14-3-2-11(16(10-17)5-6-16)8-12(14)13-9-18-7-4-15(13)19/h2-4,7-9H,5-6H2,1H3
InChIKeyQRLFWDPUEQFBFJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.28
Rot. Bonds1

About 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile

1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile (PubChem CID 116985998) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile
PubChem CID116985998
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile
SMILESCn1c2ccncc2c2cc(C3(C#N)CC3)ccc21
InChIInChI=1S/C16H13N3/c1-19-14-3-2-11(16(10-17)5-6-16)8-12(14)13-9-18-7-4-15(13)19/h2-4,7-9H,5-6H2,1H3
InChIKeyQRLFWDPUEQFBFJ-UHFFFAOYSA-N
XLogP3.28
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile (CID 116985998) is 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile is Cn1c2ccncc2c2cc(C3(C#N)CC3)ccc21.
What is the InChIKey of 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile?
The InChIKey is QRLFWDPUEQFBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-19-14-3-2-11(16(10-17)5-6-16)8-12(14)13-9-18-7-4-15(13)19/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile?
1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116985998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).