5-(nitrosomethyl)cyclohepta[b]pyrrole

C10H8N2O — CID 54315572

IUPAC5-(nitrosomethyl)cyclohepta[b]pyrrole
SMILESO=NCc1cccc2nccc-2c1
InChIInChI=1S/C10H8N2O/c13-12-7-8-2-1-3-10-9(6-8)4-5-11-10/h1-6H,7H2
InChIKeySNXMHDWXKCYIHI-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.45
Rot. Bonds2

About 5-(nitrosomethyl)cyclohepta[b]pyrrole

5-(nitrosomethyl)cyclohepta[b]pyrrole (PubChem CID 54315572) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-(nitrosomethyl)cyclohepta[b]pyrrole.

Molecular Properties

Compound Name5-(nitrosomethyl)cyclohepta[b]pyrrole
PubChem CID54315572
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name5-(nitrosomethyl)cyclohepta[b]pyrrole
SMILESO=NCc1cccc2nccc-2c1
InChIInChI=1S/C10H8N2O/c13-12-7-8-2-1-3-10-9(6-8)4-5-11-10/h1-6H,7H2
InChIKeySNXMHDWXKCYIHI-UHFFFAOYSA-N
XLogP2.45
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(nitrosomethyl)cyclohepta[b]pyrrole?
The IUPAC name of 5-(nitrosomethyl)cyclohepta[b]pyrrole (CID 54315572) is 5-(nitrosomethyl)cyclohepta[b]pyrrole.
What is the SMILES notation for 5-(nitrosomethyl)cyclohepta[b]pyrrole?
The canonical SMILES for 5-(nitrosomethyl)cyclohepta[b]pyrrole is O=NCc1cccc2nccc-2c1.
What is the InChIKey of 5-(nitrosomethyl)cyclohepta[b]pyrrole?
The InChIKey is SNXMHDWXKCYIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-12-7-8-2-1-3-10-9(6-8)4-5-11-10/h1-6H,7H2.
What are the key properties of 5-(nitrosomethyl)cyclohepta[b]pyrrole?
5-(nitrosomethyl)cyclohepta[b]pyrrole has a molecular weight of 172.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nitrosomethyl)cyclohepta[b]pyrrole is sourced from PubChem (CID 54315572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).