2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile

C11H15N3 — CID 83208428

IUPAC2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
SMILESN#CCn1cc2c(c1)C(N)CCCC2
InChIInChI=1S/C11H15N3/c12-5-6-14-7-9-3-1-2-4-11(13)10(9)8-14/h7-8,11H,1-4,6,13H2
InChIKeyILRMFZMXFGEBGE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.74
Rot. Bonds1

About 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile

2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile (PubChem CID 83208428) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
PubChem CID83208428
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
SMILESN#CCn1cc2c(c1)C(N)CCCC2
InChIInChI=1S/C11H15N3/c12-5-6-14-7-9-3-1-2-4-11(13)10(9)8-14/h7-8,11H,1-4,6,13H2
InChIKeyILRMFZMXFGEBGE-UHFFFAOYSA-N
XLogP1.74
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile (CID 83208428) is 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile is N#CCn1cc2c(c1)C(N)CCCC2.
What is the InChIKey of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile?
The InChIKey is ILRMFZMXFGEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-5-6-14-7-9-3-1-2-4-11(13)10(9)8-14/h7-8,11H,1-4,6,13H2.
What are the key properties of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile?
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 83208428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).