(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid

C10H15BrO2 — CID 7140213

IUPAC(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)/C(=C/Br)CC[C@]1(C)C(=O)O
InChIInChI=1S/C10H15BrO2/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyHMMQOGVQHCIIMC-VQCYPWCPSA-N
MW247.13 g/mol
LogP3.18
Rot. Bonds1

About (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid

(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 7140213) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID7140213
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)/C(=C/Br)CC[C@]1(C)C(=O)O
InChIInChI=1S/C10H15BrO2/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyHMMQOGVQHCIIMC-VQCYPWCPSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
CID 13429439
1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid
CID 175458991
cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
CID 67620806
trans-(1S,3S)-1-bromo-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
CID 927623
(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid
CID 122199254
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide
CID 58853085
(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
CID 7003716
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 102568279
cis-(1R,3R)-3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 99989227
3-[(2E)-1-methyl-2-propylidenecyclobutyl]butan-2-one
CID 58644804

Frequently Asked Questions

What is the IUPAC name of (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 7140213) is (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid is CC1(C)/C(=C/Br)CC[C@]1(C)C(=O)O.
What is the InChIKey of (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is HMMQOGVQHCIIMC-VQCYPWCPSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1.
What are the key properties of (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 247.13 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 7140213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).