(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone

C7H11N5O2 — CID 103357587

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nn[nH]n2)C1
InChIInChI=1S/C7H11N5O2/c1-7(14)2-3-12(4-7)6(13)5-8-10-11-9-5/h14H,2-4H2,1H3,(H,8,9,10,11)
InChIKeyUKGRJIOIZZIRSR-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.20
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone (PubChem CID 103357587) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone
PubChem CID103357587
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nn[nH]n2)C1
InChIInChI=1S/C7H11N5O2/c1-7(14)2-3-12(4-7)6(13)5-8-10-11-9-5/h14H,2-4H2,1H3,(H,8,9,10,11)
InChIKeyUKGRJIOIZZIRSR-UHFFFAOYSA-N
XLogP-1.20
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 103745670
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 115874457
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 103357517
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 103745686
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358238
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone (CID 103357587) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone is CC1(O)CCN(C(=O)c2nn[nH]n2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone?
The InChIKey is UKGRJIOIZZIRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-7(14)2-3-12(4-7)6(13)5-8-10-11-9-5/h14H,2-4H2,1H3,(H,8,9,10,11).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone has a molecular weight of 197.20 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone is sourced from PubChem (CID 103357587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).