7-methoxy-9H-carbazole-2-carbonitrile

C14H10N2O — CID 10775390

IUPAC7-methoxy-9H-carbazole-2-carbonitrile
SMILESCOc1ccc2c(c1)[nH]c1cc(C#N)ccc12
InChIInChI=1S/C14H10N2O/c1-17-10-3-5-12-11-4-2-9(8-15)6-13(11)16-14(12)7-10/h2-7,16H,1H3
InChIKeyMRXZIJHIWUNLNU-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.20
Rot. Bonds1

About 7-methoxy-9H-carbazole-2-carbonitrile

7-methoxy-9H-carbazole-2-carbonitrile (PubChem CID 10775390) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 7-methoxy-9H-carbazole-2-carbonitrile.

Molecular Properties

Compound Name7-methoxy-9H-carbazole-2-carbonitrile
PubChem CID10775390
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name7-methoxy-9H-carbazole-2-carbonitrile
SMILESCOc1ccc2c(c1)[nH]c1cc(C#N)ccc12
InChIInChI=1S/C14H10N2O/c1-17-10-3-5-12-11-4-2-9(8-15)6-13(11)16-14(12)7-10/h2-7,16H,1H3
InChIKeyMRXZIJHIWUNLNU-UHFFFAOYSA-N
XLogP3.20
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9H-carbazole-2-carbonitrile?
The IUPAC name of 7-methoxy-9H-carbazole-2-carbonitrile (CID 10775390) is 7-methoxy-9H-carbazole-2-carbonitrile.
What is the SMILES notation for 7-methoxy-9H-carbazole-2-carbonitrile?
The canonical SMILES for 7-methoxy-9H-carbazole-2-carbonitrile is COc1ccc2c(c1)[nH]c1cc(C#N)ccc12.
What is the InChIKey of 7-methoxy-9H-carbazole-2-carbonitrile?
The InChIKey is MRXZIJHIWUNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-17-10-3-5-12-11-4-2-9(8-15)6-13(11)16-14(12)7-10/h2-7,16H,1H3.
What are the key properties of 7-methoxy-9H-carbazole-2-carbonitrile?
7-methoxy-9H-carbazole-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9H-carbazole-2-carbonitrile is sourced from PubChem (CID 10775390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).