2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid

C16H14N2O2 — CID 116986188

IUPAC2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
SMILESCn1c2ccncc2c2ccc(C3CC3C(=O)O)cc21
InChIInChI=1S/C16H14N2O2/c1-18-14-4-5-17-8-13(14)10-3-2-9(6-15(10)18)11-7-12(11)16(19)20/h2-6,8,11-12H,7H2,1H3,(H,19,20)
InChIKeyQDUPDMXLZFRKRV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid

2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid (PubChem CID 116986188) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
PubChem CID116986188
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
SMILESCn1c2ccncc2c2ccc(C3CC3C(=O)O)cc21
InChIInChI=1S/C16H14N2O2/c1-18-14-4-5-17-8-13(14)10-3-2-9(6-15(10)18)11-7-12(11)16(19)20/h2-6,8,11-12H,7H2,1H3,(H,19,20)
InChIKeyQDUPDMXLZFRKRV-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid (CID 116986188) is 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid is Cn1c2ccncc2c2ccc(C3CC3C(=O)O)cc21.
What is the InChIKey of 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QDUPDMXLZFRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-14-4-5-17-8-13(14)10-3-2-9(6-15(10)18)11-7-12(11)16(19)20/h2-6,8,11-12H,7H2,1H3,(H,19,20).
What are the key properties of 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid?
2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).