4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile

C17H18N2 — CID 68707555

IUPAC4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESCC[C@H]1CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C17H18N2/c1-2-14-6-5-11-19(14)17-10-9-13(12-18)15-7-3-4-8-16(15)17/h3-4,7-10,14H,2,5-6,11H2,1H3/t14-/m0/s1
InChIKeyXLFOJSTZVSAFDR-AWEZNQCLSA-N
MW250.35 g/mol
LogP4.09
Rot. Bonds2

About 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile

4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile (PubChem CID 68707555) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile
PubChem CID68707555
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESCC[C@H]1CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C17H18N2/c1-2-14-6-5-11-19(14)17-10-9-13(12-18)15-7-3-4-8-16(15)17/h3-4,7-10,14H,2,5-6,11H2,1H3/t14-/m0/s1
InChIKeyXLFOJSTZVSAFDR-AWEZNQCLSA-N
XLogP4.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile (CID 68707555) is 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile is CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The InChIKey is XLFOJSTZVSAFDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-14-6-5-11-19(14)17-10-9-13(12-18)15-7-3-4-8-16(15)17/h3-4,7-10,14H,2,5-6,11H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile has a molecular weight of 250.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 68707555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).