N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide

C19H22N2O — CID 762638

IUPACN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide
SMILESCCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
InChIInChI=1S/C19H22N2O/c1-2-7-17(22)21-18-15-9-4-3-8-14(15)12-19(16(18)13-20)10-5-6-11-19/h3-4,8-9H,2,5-7,10-12H2,1H3,(H,21,22)
InChIKeyOZGBGVISFVGPFW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.95
Rot. Bonds3

About N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide

N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide (PubChem CID 762638) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide
PubChem CID762638
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide
SMILESCCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
InChIInChI=1S/C19H22N2O/c1-2-7-17(22)21-18-15-9-4-3-8-14(15)12-19(16(18)13-20)10-5-6-11-19/h3-4,8-9H,2,5-7,10-12H2,1H3,(H,21,22)
InChIKeyOZGBGVISFVGPFW-UHFFFAOYSA-N
XLogP3.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide?
The IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide (CID 762638) is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide.
What is the SMILES notation for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide?
The canonical SMILES for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide is CCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21.
What is the InChIKey of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide?
The InChIKey is OZGBGVISFVGPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-7-17(22)21-18-15-9-4-3-8-14(15)12-19(16(18)13-20)10-5-6-11-19/h3-4,8-9H,2,5-7,10-12H2,1H3,(H,21,22).
What are the key properties of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide?
N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide has a molecular weight of 294.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)butanamide is sourced from PubChem (CID 762638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).