2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile

C16H15N — CID 172635798

IUPAC2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile
SMILESCC1(c2ccc3ccccc3c2)CCC1C#N
InChIInChI=1S/C16H15N/c1-16(9-8-15(16)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9H2,1H3
InChIKeyCDUQNSLVTIHLOE-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.03
Rot. Bonds1

About 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile

2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile (PubChem CID 172635798) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile
PubChem CID172635798
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile
SMILESCC1(c2ccc3ccccc3c2)CCC1C#N
InChIInChI=1S/C16H15N/c1-16(9-8-15(16)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9H2,1H3
InChIKeyCDUQNSLVTIHLOE-UHFFFAOYSA-N
XLogP4.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile (CID 172635798) is 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile is CC1(c2ccc3ccccc3c2)CCC1C#N.
What is the InChIKey of 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile?
The InChIKey is CDUQNSLVTIHLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-16(9-8-15(16)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile?
2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile has a molecular weight of 221.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 172635798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).