2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide

C20H22N2O2 — CID 128862639

IUPAC2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC12CCCC2
InChIInChI=1S/C20H22N2O2/c21-13-20(12-19(20)9-3-4-10-19)18(24)22-15-8-7-14-5-1-2-6-17(23)16(14)11-15/h7-8,11H,1-6,9-10,12H2,(H,22,24)
InChIKeyBBZUONDGQBVAEX-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.01
Rot. Bonds2

About 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide

2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide (PubChem CID 128862639) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide
PubChem CID128862639
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC12CCCC2
InChIInChI=1S/C20H22N2O2/c21-13-20(12-19(20)9-3-4-10-19)18(24)22-15-8-7-14-5-1-2-6-17(23)16(14)11-15/h7-8,11H,1-6,9-10,12H2,(H,22,24)
InChIKeyBBZUONDGQBVAEX-UHFFFAOYSA-N
XLogP4.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide with MolForge

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Related Compounds

(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide
CID 129347074
2-cyano-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylspiro[2.4]heptane-2-carboxamide
CID 126814596
(2S)-2-cyano-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)spiro[2.4]heptane-2-carboxamide
CID 129347182
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-cyanospiro[2.4]heptane-2-carboxamide
CID 128546568
(3S)-3-hydroxy-1-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)pyrrolidine-1,3-dicarboxamide
CID 164642350
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932209
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
CID 111840825
2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119781826
2-methyl-3-[methyl-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)carbamoyl]amino]propanoic acid
CID 122103283

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide (CID 128862639) is 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide is N#CC1(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC12CCCC2.
What is the InChIKey of 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is BBZUONDGQBVAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-13-20(12-19(20)9-3-4-10-19)18(24)22-15-8-7-14-5-1-2-6-17(23)16(14)11-15/h7-8,11H,1-6,9-10,12H2,(H,22,24).
What are the key properties of 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide?
2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 128862639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).