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

C18H20N2O — CID 602873

IUPACN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide
SMILESCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
InChIInChI=1S/C18H20N2O/c1-2-16(21)20-17-14-8-4-3-7-13(14)11-18(15(17)12-19)9-5-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,21)
InChIKeyIWRSCICQEMDWGE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds2

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

N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide (PubChem CID 602873) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide
PubChem CID602873
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide
SMILESCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
InChIInChI=1S/C18H20N2O/c1-2-16(21)20-17-14-8-4-3-7-13(14)11-18(15(17)12-19)9-5-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,21)
InChIKeyIWRSCICQEMDWGE-UHFFFAOYSA-N
XLogP3.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 199801
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N-(3'-cyano-1'H-spiro[cyclohexane-1,2'-naphthalen]-4'-yl)-2-phenylacetamide
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CID 4298462
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide?
The IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide (CID 602873) is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide?
The canonical SMILES for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide is CCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21.
What is the InChIKey of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide?
The InChIKey is IWRSCICQEMDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-16(21)20-17-14-8-4-3-7-13(14)11-18(15(17)12-19)9-5-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,21).
What are the key properties of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide?
N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 3.56, 2 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)propanamide is sourced from PubChem (CID 602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).