N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide

C16H16N6O — CID 8524141

IUPACN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C16H16N6O/c23-15(18-17-14-9-12-7-4-8-13(12)14)10-22-20-16(19-21-22)11-5-2-1-3-6-11/h1-7,12-13H,8-10H2,(H,18,23)/b17-14-/t12-,13-/m0/s1
InChIKeyXCNQCCZLXFGZCO-ZFZJTJTISA-N
MW308.34 g/mol
LogP1.41
Rot. Bonds4

About N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 8524141) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID8524141
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C16H16N6O/c23-15(18-17-14-9-12-7-4-8-13(12)14)10-22-20-16(19-21-22)11-5-2-1-3-6-11/h1-7,12-13H,8-10H2,(H,18,23)/b17-14-/t12-,13-/m0/s1
InChIKeyXCNQCCZLXFGZCO-ZFZJTJTISA-N
XLogP1.41
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6153371
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929871
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
CID 9241684
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929889
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 9391808
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 8524141) is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C[C@@H]2C=CC[C@H]12.
What is the InChIKey of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is XCNQCCZLXFGZCO-ZFZJTJTISA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(18-17-14-9-12-7-4-8-13(12)14)10-22-20-16(19-21-22)11-5-2-1-3-6-11/h1-7,12-13H,8-10H2,(H,18,23)/b17-14-/t12-,13-/m0/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 8524141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).