(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

C6H7Br2N5O — CID 7028492

IUPAC(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nn[nH]n2)CC1(Br)Br
InChIInChI=1S/C6H7Br2N5O/c1-5(2-6(5,7)8)3(14)9-4-10-12-13-11-4/h2H2,1H3,(H2,9,10,11,12,13,14)/t5-/m1/s1
InChIKeyRJTWDTUNCTZTAO-RXMQYKEDSA-N
MW324.96 g/mol
LogP1.03
Rot. Bonds2

About (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 7028492) has the molecular formula C6H7Br2N5O and a molecular weight of 324.96 g/mol. Its IUPAC name is (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID7028492
Molecular FormulaC6H7Br2N5O
Molecular Weight324.96 g/mol
Exact Mass322.90
IUPAC Name(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nn[nH]n2)CC1(Br)Br
InChIInChI=1S/C6H7Br2N5O/c1-5(2-6(5,7)8)3(14)9-4-10-12-13-11-4/h2H2,1H3,(H2,9,10,11,12,13,14)/t5-/m1/s1
InChIKeyRJTWDTUNCTZTAO-RXMQYKEDSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.96
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (CID 7028492) is (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2nn[nH]n2)CC1(Br)Br.
What is the InChIKey of (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is RJTWDTUNCTZTAO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7Br2N5O/c1-5(2-6(5,7)8)3(14)9-4-10-12-13-11-4/h2H2,1H3,(H2,9,10,11,12,13,14)/t5-/m1/s1.
What are the key properties of (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 324.96 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7028492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).