3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile

C18H16N2 — CID 23014662

IUPAC3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile
SMILESCN(C)C1=C(c2cc3ccccc3cc2C#N)CC=C1
InChIInChI=1S/C18H16N2/c1-20(2)18-9-5-8-16(18)17-11-14-7-4-3-6-13(14)10-15(17)12-19/h3-7,9-11H,8H2,1-2H3
InChIKeyJQVSBAOEWQNLNR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.94
Rot. Bonds2

About 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile

3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile (PubChem CID 23014662) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile
PubChem CID23014662
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile
SMILESCN(C)C1=C(c2cc3ccccc3cc2C#N)CC=C1
InChIInChI=1S/C18H16N2/c1-20(2)18-9-5-8-16(18)17-11-14-7-4-3-6-13(14)10-15(17)12-19/h3-7,9-11H,8H2,1-2H3
InChIKeyJQVSBAOEWQNLNR-UHFFFAOYSA-N
XLogP3.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile (CID 23014662) is 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile is CN(C)C1=C(c2cc3ccccc3cc2C#N)CC=C1.
What is the InChIKey of 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile?
The InChIKey is JQVSBAOEWQNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-20(2)18-9-5-8-16(18)17-11-14-7-4-3-6-13(14)10-15(17)12-19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile?
3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 23014662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).