1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid

C15H12N2O2 — CID 117383621

IUPAC1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3[nH]c4cnccc4c3c2)CC1
InChIInChI=1S/C15H12N2O2/c18-14(19)15(4-5-15)9-1-2-12-11(7-9)10-3-6-16-8-13(10)17-12/h1-3,6-8,17H,4-5H2,(H,18,19)
InChIKeyRJEMYNUNKRQWNH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.83
Rot. Bonds2

About 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid

1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid (PubChem CID 117383621) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
PubChem CID117383621
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3[nH]c4cnccc4c3c2)CC1
InChIInChI=1S/C15H12N2O2/c18-14(19)15(4-5-15)9-1-2-12-11(7-9)10-3-6-16-8-13(10)17-12/h1-3,6-8,17H,4-5H2,(H,18,19)
InChIKeyRJEMYNUNKRQWNH-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid (CID 117383621) is 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc3[nH]c4cnccc4c3c2)CC1.
What is the InChIKey of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RJEMYNUNKRQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14(19)15(4-5-15)9-1-2-12-11(7-9)10-3-6-16-8-13(10)17-12/h1-3,6-8,17H,4-5H2,(H,18,19).
What are the key properties of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid?
1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117383621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).