3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one

C8H11N5O — CID 104788433

IUPAC3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)c1nn[nH]n1
InChIInChI=1S/C8H11N5O/c1-5(8-10-12-13-11-8)9-6-2-3-7(14)4-6/h4-5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeySHINOTPOILDGQW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.10
Rot. Bonds3

About 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one

3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one (PubChem CID 104788433) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one
PubChem CID104788433
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)c1nn[nH]n1
InChIInChI=1S/C8H11N5O/c1-5(8-10-12-13-11-8)9-6-2-3-7(14)4-6/h4-5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeySHINOTPOILDGQW-UHFFFAOYSA-N
XLogP0.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one (CID 104788433) is 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one is CC(NC1=CC(=O)CC1)c1nn[nH]n1.
What is the InChIKey of 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one?
The InChIKey is SHINOTPOILDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(8-10-12-13-11-8)9-6-2-3-7(14)4-6/h4-5,9H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one?
3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one has a molecular weight of 193.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).