cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

C11H12BrNO2 — CID 58563114

IUPACcis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@]1(c2cccc(Br)c2)C[C@H]1CO
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-2-7(4-9)11(10(13)15)5-8(11)6-14/h1-4,8,14H,5-6H2,(H2,13,15)/t8-,11+/m0/s1
InChIKeySRGDGGYDYVNHRL-GZMMTYOYSA-N
MW270.13 g/mol
LogP1.18
Rot. Bonds3

About cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 58563114) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID58563114
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namecis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@]1(c2cccc(Br)c2)C[C@H]1CO
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-2-7(4-9)11(10(13)15)5-8(11)6-14/h1-4,8,14H,5-6H2,(H2,13,15)/t8-,11+/m0/s1
InChIKeySRGDGGYDYVNHRL-GZMMTYOYSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 58563114) is cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is NC(=O)[C@@]1(c2cccc(Br)c2)C[C@H]1CO.
What is the InChIKey of cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is SRGDGGYDYVNHRL-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-3-1-2-7(4-9)11(10(13)15)5-8(11)6-14/h1-4,8,14H,5-6H2,(H2,13,15)/t8-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58563114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).