1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

C11H12BrNO2 — CID 76831250

IUPAC1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CC1CO
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)
InChIKeySRGDGGYDYVNHRL-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.18
Rot. Bonds3

About 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 76831250) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID76831250
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CC1CO
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)
InChIKeySRGDGGYDYVNHRL-UHFFFAOYSA-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 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 76831250) is 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is NC(=O)C1(c2cccc(Br)c2)CC1CO.
What is the InChIKey of 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is SRGDGGYDYVNHRL-UHFFFAOYSA-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).
What are the key properties of 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
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 1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76831250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).