2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one

C14H16N4O — CID 79570449

IUPAC2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c19-13-8-4-7-11(13)9-10-18-16-14(15-17-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2
InChIKeyRGJYEZFNSGOKSH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one

2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one (PubChem CID 79570449) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one
PubChem CID79570449
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c19-13-8-4-7-11(13)9-10-18-16-14(15-17-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2
InChIKeyRGJYEZFNSGOKSH-UHFFFAOYSA-N
XLogP2.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 853140
4-methyl-4-(5-phenyl-2H-tetrazol-2-yl)pentan-2-one
CID 658397
1-Azolyl-4-phenyl-2-butanone, 43
CID 44604419
1-(5-phenyl-2H-tetrazol-2-yl)propan-2-one
CID 764065
1-(1-Adamantyl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7634078
(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one
CID 164630897
4-[5-(4-Fluorophenyl)-2H-1,2,3,4-tetraazol-2-YL]butanamide
CID 552573
1-(2-Fluorophenyl)-5-(5-phenyltetrazol-2-yl)pentane-2,4-dione
CID 160885913
4-[4-(2-Benzyltetrazol-5-yl)phenyl]butan-2-one
CID 20616870
4-(5-Phenyltetrazol-2-yl)butan-2-one
CID 14359652
(4S)-4-phenyl-4-(5-phenyltetrazol-2-yl)butan-2-one
CID 102508079
5-[3-(5-Phenyl-2-tetrazolyl)propyl]-2-tetrazolyl-acetamide
CID 129742128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one (CID 79570449) is 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one is O=C1CCCC1CCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one?
The InChIKey is RGJYEZFNSGOKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-8-4-7-11(13)9-10-18-16-14(15-17-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2.
What are the key properties of 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one?
2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).