2-phenylspiro[3.3]heptane-2-carbonitrile

C14H15N — CID 65009327

IUPAC2-phenylspiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(c2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C14H15N/c15-11-14(12-5-2-1-3-6-12)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-10H2
InChIKeyOTVLJWVRCRNCFQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.41
Rot. Bonds1

About 2-phenylspiro[3.3]heptane-2-carbonitrile

2-phenylspiro[3.3]heptane-2-carbonitrile (PubChem CID 65009327) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-phenylspiro[3.3]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-phenylspiro[3.3]heptane-2-carbonitrile
PubChem CID65009327
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-phenylspiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(c2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C14H15N/c15-11-14(12-5-2-1-3-6-12)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-10H2
InChIKeyOTVLJWVRCRNCFQ-UHFFFAOYSA-N
XLogP3.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[3.3]heptane-2-carbonitrile?
The IUPAC name of 2-phenylspiro[3.3]heptane-2-carbonitrile (CID 65009327) is 2-phenylspiro[3.3]heptane-2-carbonitrile.
What is the SMILES notation for 2-phenylspiro[3.3]heptane-2-carbonitrile?
The canonical SMILES for 2-phenylspiro[3.3]heptane-2-carbonitrile is N#CC1(c2ccccc2)CC2(CCC2)C1.
What is the InChIKey of 2-phenylspiro[3.3]heptane-2-carbonitrile?
The InChIKey is OTVLJWVRCRNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c15-11-14(12-5-2-1-3-6-12)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-10H2.
What are the key properties of 2-phenylspiro[3.3]heptane-2-carbonitrile?
2-phenylspiro[3.3]heptane-2-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[3.3]heptane-2-carbonitrile is sourced from PubChem (CID 65009327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).