2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile

C14H13N — CID 154027283

IUPAC2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile
SMILESN#CC=C1CCC2(CC2)c2ccccc21
InChIInChI=1S/C14H13N/c15-10-6-11-5-7-14(8-9-14)13-4-2-1-3-12(11)13/h1-4,6H,5,7-9H2
InChIKeyRSAOKQNZNHIBBE-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.42
Rot. Bonds

About 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile

2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile (PubChem CID 154027283) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile.

Molecular Properties

Compound Name2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile
PubChem CID154027283
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile
SMILESN#CC=C1CCC2(CC2)c2ccccc21
InChIInChI=1S/C14H13N/c15-10-6-11-5-7-14(8-9-14)13-4-2-1-3-12(11)13/h1-4,6H,5,7-9H2
InChIKeyRSAOKQNZNHIBBE-UHFFFAOYSA-N
XLogP3.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile?
The IUPAC name of 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile (CID 154027283) is 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile.
What is the SMILES notation for 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile?
The canonical SMILES for 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile is N#CC=C1CCC2(CC2)c2ccccc21.
What is the InChIKey of 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile?
The InChIKey is RSAOKQNZNHIBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c15-10-6-11-5-7-14(8-9-14)13-4-2-1-3-12(11)13/h1-4,6H,5,7-9H2.
What are the key properties of 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile?
2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile has a molecular weight of 195.27 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-ylideneacetonitrile is sourced from PubChem (CID 154027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).